Nitrobenzenes

Organic compounds that consist of a phenyl group with a nitro functional group substitution in the following structure: C6H5NO2; a nitro group has a nitrogen atom bonded to two oxygen groups in a single and a double bond.

1 – 15 of 339 results

5-Nitrovanillin, 97%, Thermo Scientific Chemicals

CAS: 6635-20-7 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00007118 InChI Key: ZEHYRTJBFMZHCY-UHFFFAOYSA-N Synonym: 5-nitrovanillin,4-hydroxy-3-methoxy-5-nitrobenzaldehyde,vanillin, 5-nitro,benzaldehyde, 4-hydroxy-3-methoxy-5-nitro,3-methoxy-4-hydroxy-5-nitrobenzaldhyde,3-methoxy-4-hydroxy-5-nitrobenzaldehyde,4-hydroxy-3-methoxy-5-nitro-benzaldehyde,4-hydroxy-3-nitro-5-methoxybenzaldehyde,4-hydroxy-5-methoxy-3-nitrobenzaldehyde,5-nitrovanilline PubChem CID: 81134 ChEBI: CHEBI:48385 SMILES: COC1=CC(=CC(=C1O)[N+](=O)[O-])C=O

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PubChem CID	81134
CAS	6635-20-7
Molecular Weight (g/mol)	197.146
ChEBI	CHEBI:48385
MDL Number	MFCD00007118
SMILES	COC1=CC(=CC(=C1O)[N+](=O)[O-])C=O
Synonym	5-nitrovanillin,4-hydroxy-3-methoxy-5-nitrobenzaldehyde,vanillin, 5-nitro,benzaldehyde, 4-hydroxy-3-methoxy-5-nitro,3-methoxy-4-hydroxy-5-nitrobenzaldhyde,3-methoxy-4-hydroxy-5-nitrobenzaldehyde,4-hydroxy-3-methoxy-5-nitro-benzaldehyde,4-hydroxy-3-nitro-5-methoxybenzaldehyde,4-hydroxy-5-methoxy-3-nitrobenzaldehyde,5-nitrovanilline
InChI Key	ZEHYRTJBFMZHCY-UHFFFAOYSA-N
Molecular Formula	C8H7NO5

4'-Methoxy-2'-nitroacetanilide, 98+%, Thermo Scientific Chemicals

CAS: 119-81-3 Molecular Formula: C9H10N2O4 Molecular Weight (g/mol): 210.189 MDL Number: MFCD00017018 InChI Key: QGEGALJODPBPGR-UHFFFAOYSA-N Synonym: n-4-methoxy-2-nitrophenyl acetamide,4'-methoxy-2'-nitroacetanilide,4-methoxy-2-nitroacetanilide,2'-nitro-p-acetanisidide,acetamide, n-4-methoxy-2-nitrophenyl,2-nitro-p-acetanisidide,p-acetanisidide, 2-nitro,4-acetamido-3-nitroanisole,2-nitro-4-methoxyacetanilide,p-acetanisidide, 2'-nitro PubChem CID: 67075 IUPAC Name: N-(4-methoxy-2-nitrophenyl)acetamide SMILES: CC(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-]

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PubChem CID	67075
CAS	119-81-3
Molecular Weight (g/mol)	210.189
MDL Number	MFCD00017018
SMILES	CC(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-]
Synonym	n-4-methoxy-2-nitrophenyl acetamide,4'-methoxy-2'-nitroacetanilide,4-methoxy-2-nitroacetanilide,2'-nitro-p-acetanisidide,acetamide, n-4-methoxy-2-nitrophenyl,2-nitro-p-acetanisidide,p-acetanisidide, 2-nitro,4-acetamido-3-nitroanisole,2-nitro-4-methoxyacetanilide,p-acetanisidide, 2'-nitro
IUPAC Name	N-(4-methoxy-2-nitrophenyl)acetamide
InChI Key	QGEGALJODPBPGR-UHFFFAOYSA-N
Molecular Formula	C9H10N2O4

2-Fluoro-5-nitrobenzaldehyde, 98%, Thermo Scientific Chemicals

CAS: 27996-87-8 Molecular Formula: C7H4FNO3 Molecular Weight (g/mol): 169.111 MDL Number: MFCD00042298 InChI Key: VVXFDFQEIRGULC-UHFFFAOYSA-N Synonym: fluoro nitrobenzaldehyde,5-nitro-2-fluorobenzaldehyde,4-fluoro-3-formylnitrobenzene,2-fluoro-5-nitro-benzaldehyde,benzaldehyde, 2-fluoro-5-nitro,pubchem1459,acmc-209h0h,akos bb460,asischem d51510,2-fluoro-5 nitrobenzaldehyde PubChem CID: 2734770 IUPAC Name: 2-fluoro-5-nitrobenzaldehyde SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C=O)F

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PubChem CID	2734770
CAS	27996-87-8
Molecular Weight (g/mol)	169.111
MDL Number	MFCD00042298
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C=O)F
Synonym	fluoro nitrobenzaldehyde,5-nitro-2-fluorobenzaldehyde,4-fluoro-3-formylnitrobenzene,2-fluoro-5-nitro-benzaldehyde,benzaldehyde, 2-fluoro-5-nitro,pubchem1459,acmc-209h0h,akos bb460,asischem d51510,2-fluoro-5 nitrobenzaldehyde
IUPAC Name	2-fluoro-5-nitrobenzaldehyde
InChI Key	VVXFDFQEIRGULC-UHFFFAOYSA-N
Molecular Formula	C7H4FNO3

4-Methoxy-2-nitroaniline, 99%, Thermo Scientific Chemicals

CAS: 96-96-8 Molecular Formula: C7H8N2O3 Molecular Weight (g/mol): 168.152 MDL Number: MFCD00007152 InChI Key: QFMJFXFXQAFGBO-UHFFFAOYSA-N Synonym: 2-nitro-4-methoxyaniline,4-amino-3-nitroanisole,fast bordeaux gp,2-nitro-p-anisidine,azobase nas,devol bordeaux b,bordeaux gp base,bordeaux gp salt,fast bordeaux gp base,fast bordeaux gp salt PubChem CID: 66793 ChEBI: CHEBI:48973 IUPAC Name: 4-methoxy-2-nitroaniline SMILES: COC1=CC(=C(C=C1)N)[N+](=O)[O-]

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PubChem CID	66793
CAS	96-96-8
Molecular Weight (g/mol)	168.152
ChEBI	CHEBI:48973
MDL Number	MFCD00007152
SMILES	COC1=CC(=C(C=C1)N)[N+](=O)[O-]
Synonym	2-nitro-4-methoxyaniline,4-amino-3-nitroanisole,fast bordeaux gp,2-nitro-p-anisidine,azobase nas,devol bordeaux b,bordeaux gp base,bordeaux gp salt,fast bordeaux gp base,fast bordeaux gp salt
IUPAC Name	4-methoxy-2-nitroaniline
InChI Key	QFMJFXFXQAFGBO-UHFFFAOYSA-N
Molecular Formula	C7H8N2O3

4-Nitroanisole, 97%, Thermo Scientific Chemicals

CAS: 100-17-4 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007327 InChI Key: BNUHAJGCKIQFGE-UHFFFAOYSA-N Synonym: 4-nitroanisole,p-nitroanisole,4-methoxynitrobenzene,p-methoxynitrobenzene,benzene, 1-methoxy-4-nitro,nitroanisole,p-nitroanisol,anisole, p-nitro,4-nitrophenyl methyl ether,unii-g989z7wolh PubChem CID: 7485 ChEBI: CHEBI:1911 IUPAC Name: 1-methoxy-4-nitrobenzene SMILES: COC1=CC=C(C=C1)[N+]([O-])=O

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PubChem CID	7485
CAS	100-17-4
Molecular Weight (g/mol)	153.14
ChEBI	CHEBI:1911
MDL Number	MFCD00007327
SMILES	COC1=CC=C(C=C1)[N+]([O-])=O
Synonym	4-nitroanisole,p-nitroanisole,4-methoxynitrobenzene,p-methoxynitrobenzene,benzene, 1-methoxy-4-nitro,nitroanisole,p-nitroanisol,anisole, p-nitro,4-nitrophenyl methyl ether,unii-g989z7wolh
IUPAC Name	1-methoxy-4-nitrobenzene
InChI Key	BNUHAJGCKIQFGE-UHFFFAOYSA-N
Molecular Formula	C7H7NO3

2-Nitroanisole, 99%, Thermo Scientific Chemicals

CAS: 91-23-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007096 InChI Key: CFBYEGUGFPZCNF-UHFFFAOYSA-N Synonym: 2-nitroanisole,o-nitroanisole,anisole, o-nitro,1-nitro-2-methoxybenzene,2-methoxynitrobenzene,o-nitrophenyl methyl ether,benzene, 1-methoxy-2-nitro,2-methoxy-1-nitrobenzene,benzene, methoxynitro,o-nitro methoxy benzene PubChem CID: 7048 ChEBI: CHEBI:48722 IUPAC Name: 1-methoxy-2-nitrobenzene SMILES: COC1=CC=CC=C1[N+]([O-])=O

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PubChem CID	7048
CAS	91-23-6
Molecular Weight (g/mol)	153.14
ChEBI	CHEBI:48722
MDL Number	MFCD00007096
SMILES	COC1=CC=CC=C1[N+]([O-])=O
Synonym	2-nitroanisole,o-nitroanisole,anisole, o-nitro,1-nitro-2-methoxybenzene,2-methoxynitrobenzene,o-nitrophenyl methyl ether,benzene, 1-methoxy-2-nitro,2-methoxy-1-nitrobenzene,benzene, methoxynitro,o-nitro methoxy benzene
IUPAC Name	1-methoxy-2-nitrobenzene
InChI Key	CFBYEGUGFPZCNF-UHFFFAOYSA-N
Molecular Formula	C7H7NO3

2-Hydroxy-5-nitrobenzaldehyde, 98%, Thermo Scientific Chemicals

CAS: 97-51-8 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007337 InChI Key: IHFRMUGEILMHNU-UHFFFAOYSA-N Synonym: 5-nitrosalicylaldehyde,benzaldehyde, 2-hydroxy-5-nitro,salicylaldehyde, 5-nitro,5-nitrosaliclaldehyde,2-hydroxy-5-nitro-benzaldehyde,5-nitro salicylaldehdye,timtec-bb sbb003885,labotest-bb lt00920994,salicylaldehyde, 5-nitro-6ci,7ci,8ci,pubchem2052 PubChem CID: 66808 IUPAC Name: 2-hydroxy-5-nitrobenzaldehyde SMILES: OC1=CC=C(C=C1C=O)[N+]([O-])=O

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PubChem CID	66808
CAS	97-51-8
Molecular Weight (g/mol)	167.12
MDL Number	MFCD00007337
SMILES	OC1=CC=C(C=C1C=O)[N+]([O-])=O
Synonym	5-nitrosalicylaldehyde,benzaldehyde, 2-hydroxy-5-nitro,salicylaldehyde, 5-nitro,5-nitrosaliclaldehyde,2-hydroxy-5-nitro-benzaldehyde,5-nitro salicylaldehdye,timtec-bb sbb003885,labotest-bb lt00920994,salicylaldehyde, 5-nitro-6ci,7ci,8ci,pubchem2052
IUPAC Name	2-hydroxy-5-nitrobenzaldehyde
InChI Key	IHFRMUGEILMHNU-UHFFFAOYSA-N
Molecular Formula	C7H5NO4

2-Chloro-5-nitrobenzaldehyde, 97%, Thermo Scientific Chemicals

CAS: 6361-21-3 Molecular Formula: C7H4ClNO3 Molecular Weight (g/mol): 185.56 MDL Number: MFCD00007293 InChI Key: VFVHWCKUHAEDMY-UHFFFAOYSA-N Synonym: benzaldehyde, 2-chloro-5-nitro,3-nitro-6-chlorobenzaldehyde,2-chloro-5-nitro-benzaldehyde,unii-pf4ill0i3h,pf4ill0i3h,2-chlor-5-nitrobenzaldehyd,pubchem7375,wln: wnr dg cvh,chloro-5-nitrobenzaldehyde,asischem r37046 PubChem CID: 72933 IUPAC Name: 2-chloro-5-nitrobenzaldehyde SMILES: [O-][N+](=O)C1=CC=C(Cl)C(C=O)=C1

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Specifications

PubChem CID	72933
CAS	6361-21-3
Molecular Weight (g/mol)	185.56
MDL Number	MFCD00007293
SMILES	[O-][N+](=O)C1=CC=C(Cl)C(C=O)=C1
Synonym	benzaldehyde, 2-chloro-5-nitro,3-nitro-6-chlorobenzaldehyde,2-chloro-5-nitro-benzaldehyde,unii-pf4ill0i3h,pf4ill0i3h,2-chlor-5-nitrobenzaldehyd,pubchem7375,wln: wnr dg cvh,chloro-5-nitrobenzaldehyde,asischem r37046
IUPAC Name	2-chloro-5-nitrobenzaldehyde
InChI Key	VFVHWCKUHAEDMY-UHFFFAOYSA-N
Molecular Formula	C7H4ClNO3

2,6-Dimethyl-4-nitroanisole, 99%, Thermo Scientific Chemicals

CAS: 14804-39-8 Molecular Formula: C9H11NO3 Molecular Weight (g/mol): 181.19 MDL Number: MFCD00024537 InChI Key: HSDNHFOJTRMGER-UHFFFAOYSA-N Synonym: 2,6-dimethyl-4-nitroanisole,m-xylene, 2-methoxy-5-nitro,benzene,2-methoxy-1,3-dimethyl-5-nitro,acmc-20ao84,m-xylene, 2-methoxy-5-nitro-,,4-methoxy-3,5-dimethylnitrobenzene,2,6-dimethyl-1-methoxy-4-nitrobenzene,2-methoxy-1,3-di-methyl-5-nitrobenzene,benzene, 2-methoxy-1,3-dimethyl-5-nitro PubChem CID: 139835 IUPAC Name: 2-methoxy-1,3-dimethyl-5-nitrobenzene SMILES: COC1=C(C)C=C(C=C1C)[N+]([O-])=O

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PubChem CID	139835
CAS	14804-39-8
Molecular Weight (g/mol)	181.19
MDL Number	MFCD00024537
SMILES	COC1=C(C)C=C(C=C1C)[N+]([O-])=O
Synonym	2,6-dimethyl-4-nitroanisole,m-xylene, 2-methoxy-5-nitro,benzene,2-methoxy-1,3-dimethyl-5-nitro,acmc-20ao84,m-xylene, 2-methoxy-5-nitro-,,4-methoxy-3,5-dimethylnitrobenzene,2,6-dimethyl-1-methoxy-4-nitrobenzene,2-methoxy-1,3-di-methyl-5-nitrobenzene,benzene, 2-methoxy-1,3-dimethyl-5-nitro
IUPAC Name	2-methoxy-1,3-dimethyl-5-nitrobenzene
InChI Key	HSDNHFOJTRMGER-UHFFFAOYSA-N
Molecular Formula	C9H11NO3

2-Bromo-4-nitro-1-(trifluoromethoxy)benzene, 98%, Thermo Scientific Chemicals

CAS: 200958-40-3 Molecular Formula: C7H3BrF3NO3 Molecular Weight (g/mol): 286.00 MDL Number: MFCD04973758 InChI Key: LVTAFGFYMLODQP-UHFFFAOYSA-N PubChem CID: 24721641 IUPAC Name: 2-bromo-4-nitro-1-(trifluoromethoxy)benzene SMILES: [O-][N+](=O)C1=CC(Br)=C(OC(F)(F)F)C=C1

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PubChem CID	24721641
CAS	200958-40-3
Molecular Weight (g/mol)	286.00
MDL Number	MFCD04973758
SMILES	[O-][N+](=O)C1=CC(Br)=C(OC(F)(F)F)C=C1
IUPAC Name	2-bromo-4-nitro-1-(trifluoromethoxy)benzene
InChI Key	LVTAFGFYMLODQP-UHFFFAOYSA-N
Molecular Formula	C7H3BrF3NO3

(2-Methoxy-5-nitrophenyl)acetic acid, 97%, Thermo Scientific Chemicals

CAS: 51073-04-2 Molecular Formula: C9H9NO5 Molecular Weight (g/mol): 211.17 MDL Number: MFCD02664832 InChI Key: TZQZNDOEOCOJFS-UHFFFAOYSA-N Synonym: 2-2-methoxy-5-nitrophenyl acetic acid,2-methoxy-5-nitrophenyl acetic acid,2-methoxy-5-nitrophenylacetic acid,benzeneacetic acid, 2-methoxy-5-nitro,2-methoxy-5-nitro-phenyl-acetic acid PubChem CID: 3519298 IUPAC Name: 2-(2-methoxy-5-nitrophenyl)acetic acid SMILES: COC1=C(CC(O)=O)C=C(C=C1)[N+]([O-])=O

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PubChem CID	3519298
CAS	51073-04-2
Molecular Weight (g/mol)	211.17
MDL Number	MFCD02664832
SMILES	COC1=C(CC(O)=O)C=C(C=C1)[N+]([O-])=O
Synonym	2-2-methoxy-5-nitrophenyl acetic acid,2-methoxy-5-nitrophenyl acetic acid,2-methoxy-5-nitrophenylacetic acid,benzeneacetic acid, 2-methoxy-5-nitro,2-methoxy-5-nitro-phenyl-acetic acid
IUPAC Name	2-(2-methoxy-5-nitrophenyl)acetic acid
InChI Key	TZQZNDOEOCOJFS-UHFFFAOYSA-N
Molecular Formula	C9H9NO5

2-Methoxy-4-nitrobenzonitrile, 98%, Thermo Scientific™

CAS: 101084-96-2 Molecular Formula: C₈H₆N₂O₃ Molecular Weight (g/mol): 178.15 InChI Key: MLIKCKXLGYEGAO-UHFFFAOYSA-N Synonym: 2-cyano-5-nitroanisole,acmc-20a4y1,4-nitro-2-methoxybenzonitrile,2-methoxy-4-nitro-benzonitrile,2-methyloxy-4-nitrobenzonitrile,2-methoxy-4-nitrobenzonitrile PubChem CID: 291867 IUPAC Name: 2-methoxy-4-nitrobenzonitrile SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])C#N

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Specifications

PubChem CID	291867
CAS	101084-96-2
Molecular Weight (g/mol)	178.15
SMILES	COC1=C(C=CC(=C1)[N+](=O)[O-])C#N
Synonym	2-cyano-5-nitroanisole,acmc-20a4y1,4-nitro-2-methoxybenzonitrile,2-methoxy-4-nitro-benzonitrile,2-methyloxy-4-nitrobenzonitrile,2-methoxy-4-nitrobenzonitrile
IUPAC Name	2-methoxy-4-nitrobenzonitrile
InChI Key	MLIKCKXLGYEGAO-UHFFFAOYSA-N
Molecular Formula	C₈H₆N₂O₃

4,5-Dimethoxy-2-nitrobenzyl bromide, 97%, Thermo Scientific Chemicals

CAS: 53413-67-5 Molecular Formula: C₉H₁₀BrNO₄ Molecular Weight (g/mol): 276.09 InChI Key: UEKFEYNZISYRRH-UHFFFAOYSA-N Synonym: 1-bromomethyl-4,5-dimethoxy-2-nitrobenzene,4,5-dimethoxy-2-nitrobenzyl bromide,1-bromomethyl-2-nitro-4,5-dimethoxybenzene,bmndmb,benzene, 1-bromomethyl-4,5-dimethoxy-2-nitro,6-nitroveratryl bromide,acmc-1ao6p,4,5-dimenoxy-2-nitrobenzyl bromide,2-nitro-4,5-dimethoxybenzyl bromide,1-bromomethyl-4,5-dimethoxynitrobenzene PubChem CID: 3016812 IUPAC Name: 1-(bromomethyl)-4,5-dimethoxy-2-nitrobenzene SMILES: COC1=C(C=C(C(=C1)CBr)[N+](=O)[O-])OC

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Specifications

PubChem CID	3016812
CAS	53413-67-5
Molecular Weight (g/mol)	276.09
SMILES	COC1=C(C=C(C(=C1)CBr)[N+](=O)[O-])OC
Synonym	1-bromomethyl-4,5-dimethoxy-2-nitrobenzene,4,5-dimethoxy-2-nitrobenzyl bromide,1-bromomethyl-2-nitro-4,5-dimethoxybenzene,bmndmb,benzene, 1-bromomethyl-4,5-dimethoxy-2-nitro,6-nitroveratryl bromide,acmc-1ao6p,4,5-dimenoxy-2-nitrobenzyl bromide,2-nitro-4,5-dimethoxybenzyl bromide,1-bromomethyl-4,5-dimethoxynitrobenzene
IUPAC Name	1-(bromomethyl)-4,5-dimethoxy-2-nitrobenzene
InChI Key	UEKFEYNZISYRRH-UHFFFAOYSA-N
Molecular Formula	C₉H₁₀BrNO₄

5-Methoxy-2-nitrophenol, 98%, Thermo Scientific Chemicals

CAS: 704-14-3 Molecular Formula: C7H7NO4 Molecular Weight (g/mol): 169.14 MDL Number: MFCD00100932 InChI Key: NRTULWPODYLFOJ-UHFFFAOYSA-N PubChem CID: 219635 IUPAC Name: 5-methoxy-2-nitrophenol SMILES: COC1=CC=C(C(O)=C1)[N+]([O-])=O

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Specifications

PubChem CID	219635
CAS	704-14-3
Molecular Weight (g/mol)	169.14
MDL Number	MFCD00100932
SMILES	COC1=CC=C(C(O)=C1)[N+]([O-])=O
IUPAC Name	5-methoxy-2-nitrophenol
InChI Key	NRTULWPODYLFOJ-UHFFFAOYSA-N
Molecular Formula	C7H7NO4

1-(2-bromoethoxy)-4-nitrobenzene, 98%, Thermo Scientific Chemicals

CAS: 13288-06-7 Molecular Formula: C8H8BrNO3 Molecular Weight (g/mol): 246.06 MDL Number: MFCD00031363 InChI Key: YQWCBDNNEZHPMA-UHFFFAOYSA-N Synonym: 1-2-bromoethoxy-4-nitrobenzene,2-bromoethyl 4-nitrophenyl ether,beta-bromo-4-nitrophenetole,2-4-nitrophenoxy ethyl bromide,4-2-bromoethoxy-1-nitrobenzene,1-2-bromoethyloxy-4-nitro-benzene,benzene, 1-2-bromoethoxy-4-nitro,4-2-bromoethoxy nitrobenzene,acmc-1azdi PubChem CID: 235987 IUPAC Name: 1-(2-bromoethoxy)-4-nitrobenzene SMILES: [O-][N+](=O)C1=CC=C(OCCBr)C=C1

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Specifications

PubChem CID	235987
CAS	13288-06-7
Molecular Weight (g/mol)	246.06
MDL Number	MFCD00031363
SMILES	[O-][N+](=O)C1=CC=C(OCCBr)C=C1
Synonym	1-2-bromoethoxy-4-nitrobenzene,2-bromoethyl 4-nitrophenyl ether,beta-bromo-4-nitrophenetole,2-4-nitrophenoxy ethyl bromide,4-2-bromoethoxy-1-nitrobenzene,1-2-bromoethyloxy-4-nitro-benzene,benzene, 1-2-bromoethoxy-4-nitro,4-2-bromoethoxy nitrobenzene,acmc-1azdi
IUPAC Name	1-(2-bromoethoxy)-4-nitrobenzene
InChI Key	YQWCBDNNEZHPMA-UHFFFAOYSA-N
Molecular Formula	C8H8BrNO3

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