Nitrotoluenes

Organic compounds that consist of a toluene molecule with a nitro group substitution; a nitro group has a nitrogen atom bonded to two oxygen groups in a single and a double bond. A toluene molecule is a benzene with a methyl group substitution.

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4-Nitrotoluene, 99%

CAS: 99-99-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007366 InChI Key: ZPTVNYMJQHSSEA-UHFFFAOYSA-N Synonym: 4-nitrotoluene,p-nitrotoluene,4-methylnitrobenzene,4-nitrotoluol,benzene, 1-methyl-4-nitro,toluene, p-nitro,p-methylnitrobenzene,para-nitrotoluol,nitrotoluenos,nitrotoluene, p PubChem CID: 7473 ChEBI: CHEBI:35227 IUPAC Name: 1-methyl-4-nitrobenzene SMILES: CC1=CC=C(C=C1)[N+]([O-])=O

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PubChem CID	7473
CAS	99-99-0
Molecular Weight (g/mol)	137.14
ChEBI	CHEBI:35227
MDL Number	MFCD00007366
SMILES	CC1=CC=C(C=C1)[N+]([O-])=O
Synonym	4-nitrotoluene,p-nitrotoluene,4-methylnitrobenzene,4-nitrotoluol,benzene, 1-methyl-4-nitro,toluene, p-nitro,p-methylnitrobenzene,para-nitrotoluol,nitrotoluenos,nitrotoluene, p
IUPAC Name	1-methyl-4-nitrobenzene
InChI Key	ZPTVNYMJQHSSEA-UHFFFAOYSA-N
Molecular Formula	C7H7NO2

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3-Nitrotoluene, 99%

CAS: 99-08-1 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007265 InChI Key: QZYHIOPPLUPUJF-UHFFFAOYSA-N Synonym: 3-nitrotoluene,m-nitrotoluene,3-nitrotoluol,benzene, 1-methyl-3-nitro,m-methylnitrobenzene,toluene, m-nitro,meta-nitrotoluol,3-methylnitrobenzene,m-nitrotoluol,nitrotoluene, m PubChem CID: 7422 ChEBI: CHEBI:39931 IUPAC Name: 1-methyl-3-nitrobenzene SMILES: CC1=CC=CC(=C1)[N+]([O-])=O

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PubChem CID	7422
CAS	99-08-1
Molecular Weight (g/mol)	137.14
ChEBI	CHEBI:39931
MDL Number	MFCD00007265
SMILES	CC1=CC=CC(=C1)[N+]([O-])=O
Synonym	3-nitrotoluene,m-nitrotoluene,3-nitrotoluol,benzene, 1-methyl-3-nitro,m-methylnitrobenzene,toluene, m-nitro,meta-nitrotoluol,3-methylnitrobenzene,m-nitrotoluol,nitrotoluene, m
IUPAC Name	1-methyl-3-nitrobenzene
InChI Key	QZYHIOPPLUPUJF-UHFFFAOYSA-N
Molecular Formula	C7H7NO2

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4-Methyl-3-nitrobenzeneboronic acid, 98%

CAS: 80500-27-2 Molecular Formula: C7H8BNO4 Molecular Weight (g/mol): 180.954 MDL Number: MFCD00191550 InChI Key: OASVXBRTNVFKFS-UHFFFAOYSA-N Synonym: 4-methyl-3-nitrophenyl boronic acid,4-methyl-3-nitrobenzeneboronic acid,3-nitro-p-tolylboronic acid,4-methyl-3-nitrophenyl boranediol,4-methyl-3-nitro-phenyl boronic acid,3-nitro-4-methylphenylboronic acid,2-nitrotoluene-4-boronic acid,boronic acid, 4-methyl-3-nitrophenyl,3-nitro-4-methylbenzeneboronic acid PubChem CID: 2773515 IUPAC Name: (4-methyl-3-nitrophenyl)boronic acid SMILES: B(C1=CC(=C(C=C1)C)[N+](=O)[O-])(O)O

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PubChem CID	2773515
CAS	80500-27-2
Molecular Weight (g/mol)	180.954
MDL Number	MFCD00191550
SMILES	B(C1=CC(=C(C=C1)C)[N+](=O)[O-])(O)O
Synonym	4-methyl-3-nitrophenyl boronic acid,4-methyl-3-nitrobenzeneboronic acid,3-nitro-p-tolylboronic acid,4-methyl-3-nitrophenyl boranediol,4-methyl-3-nitro-phenyl boronic acid,3-nitro-4-methylphenylboronic acid,2-nitrotoluene-4-boronic acid,boronic acid, 4-methyl-3-nitrophenyl,3-nitro-4-methylbenzeneboronic acid
IUPAC Name	(4-methyl-3-nitrophenyl)boronic acid
InChI Key	OASVXBRTNVFKFS-UHFFFAOYSA-N
Molecular Formula	C7H8BNO4

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4-Methyl-2-nitroaniline, 98+%

CAS: 89-62-3 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007907 InChI Key: DLURHXYXQYMPLT-UHFFFAOYSA-N Synonym: 2-nitro-p-toluidine,4-amino-3-nitrotoluene,3-nitro-4-toluidine,fast red gl,3-nitro-4-aminotoluene,fast red gl base,benzenamine, 4-methyl-2-nitro,2-nitro-4-methylaniline,4-methyl-6-nitroaniline,mnpt PubChem CID: 6978 ChEBI: CHEBI:66920 IUPAC Name: 4-methyl-2-nitroaniline SMILES: CC1=CC=C(N)C(=C1)[N+]([O-])=O

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PubChem CID	6978
CAS	89-62-3
Molecular Weight (g/mol)	152.15
ChEBI	CHEBI:66920
MDL Number	MFCD00007907
SMILES	CC1=CC=C(N)C(=C1)[N+]([O-])=O
Synonym	2-nitro-p-toluidine,4-amino-3-nitrotoluene,3-nitro-4-toluidine,fast red gl,3-nitro-4-aminotoluene,fast red gl base,benzenamine, 4-methyl-2-nitro,2-nitro-4-methylaniline,4-methyl-6-nitroaniline,mnpt
IUPAC Name	4-methyl-2-nitroaniline
InChI Key	DLURHXYXQYMPLT-UHFFFAOYSA-N
Molecular Formula	C7H8N2O2

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4-Bromo-2-methyl-6-nitroaniline, 97%

CAS: 77811-44-0 Molecular Formula: C7H7BrN2O2 Molecular Weight (g/mol): 231.049 MDL Number: MFCD00052919 InChI Key: ZXFVKFUXKFPUQJ-UHFFFAOYSA-N Synonym: 4-bromo-2-methyl-6-nitro-phenylamine,4-bromo-2-methyl-6-nitrobenzenamine,2-amino-5-bromo-3-nitrotoluene,4-bromo-6-nitro-o-toluidine,benzenamine, 4-bromo-2-methyl-6-nitro,4-bromo-2-methyl-6-nitrophenylamine,4-bromo-2-methyl-6-nitro-aniline,pubchem3813,acmc-1bg8u,ksc496e7t PubChem CID: 522679 IUPAC Name: 4-bromo-2-methyl-6-nitroaniline SMILES: CC1=CC(=CC(=C1N)[N+](=O)[O-])Br

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PubChem CID	522679
CAS	77811-44-0
Molecular Weight (g/mol)	231.049
MDL Number	MFCD00052919
SMILES	CC1=CC(=CC(=C1N)[N+](=O)[O-])Br
Synonym	4-bromo-2-methyl-6-nitro-phenylamine,4-bromo-2-methyl-6-nitrobenzenamine,2-amino-5-bromo-3-nitrotoluene,4-bromo-6-nitro-o-toluidine,benzenamine, 4-bromo-2-methyl-6-nitro,4-bromo-2-methyl-6-nitrophenylamine,4-bromo-2-methyl-6-nitro-aniline,pubchem3813,acmc-1bg8u,ksc496e7t
IUPAC Name	4-bromo-2-methyl-6-nitroaniline
InChI Key	ZXFVKFUXKFPUQJ-UHFFFAOYSA-N
Molecular Formula	C7H7BrN2O2

PubChem CID	7473
CAS	99-99-0
Molecular Weight (g/mol)	137.14
ChEBI	CHEBI:35227
MDL Number	MFCD00007366
SMILES	CC1=CC=C(C=C1)[N+]([O-])=O
Synonym	4-nitrotoluene,p-nitrotoluene,4-methylnitrobenzene,4-nitrotoluol,benzene, 1-methyl-4-nitro,toluene, p-nitro,p-methylnitrobenzene,para-nitrotoluol,nitrotoluenos,nitrotoluene, p
IUPAC Name	1-methyl-4-nitrobenzene
InChI Key	ZPTVNYMJQHSSEA-UHFFFAOYSA-N
Molecular Formula	C7H7NO2

2,6-Dimethylnitrobenzene 99.0+%, TCI America™

CAS: 81-20-9 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00007181 InChI Key: HDFQKJQEWGVKCQ-UHFFFAOYSA-N Synonym: 2-nitro-m-xylene,2,6-dimethylnitrobenzene,benzene, 1,3-dimethyl-2-nitro,2,6-dimethyl-1-nitrobenzene,m-xylene, 2-nitro,ccris 3119,1,3-dimethyl-2-nitro-benzene,dsstox_cid_5134,dsstox_rid_77678,dsstox_gsid_25134 PubChem CID: 6672 IUPAC Name: 1,3-dimethyl-2-nitrobenzene SMILES: CC1=C(C(=CC=C1)C)[N+](=O)[O-]

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PubChem CID	6672
CAS	81-20-9
Molecular Weight (g/mol)	151.165
MDL Number	MFCD00007181
SMILES	CC1=C(C(=CC=C1)C)[N+](=O)[O-]
Synonym	2-nitro-m-xylene,2,6-dimethylnitrobenzene,benzene, 1,3-dimethyl-2-nitro,2,6-dimethyl-1-nitrobenzene,m-xylene, 2-nitro,ccris 3119,1,3-dimethyl-2-nitro-benzene,dsstox_cid_5134,dsstox_rid_77678,dsstox_gsid_25134
IUPAC Name	1,3-dimethyl-2-nitrobenzene
InChI Key	HDFQKJQEWGVKCQ-UHFFFAOYSA-N
Molecular Formula	C8H9NO2

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4-Chloro-2-methyl-6-nitroaniline, 98%

CAS: 62790-50-5 Molecular Formula: C7H7ClN2O2 Molecular Weight (g/mol): 186.60 MDL Number: MFCD01320687 InChI Key: QDSCDFKGUAONPC-UHFFFAOYSA-N PubChem CID: 182355 IUPAC Name: 4-chloro-2-methyl-6-nitroaniline SMILES: CC1=CC(Cl)=CC(=C1N)[N+]([O-])=O

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Specifications

PubChem CID	182355
CAS	62790-50-5
Molecular Weight (g/mol)	186.60
MDL Number	MFCD01320687
SMILES	CC1=CC(Cl)=CC(=C1N)[N+]([O-])=O
IUPAC Name	4-chloro-2-methyl-6-nitroaniline
InChI Key	QDSCDFKGUAONPC-UHFFFAOYSA-N
Molecular Formula	C7H7ClN2O2

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5-Fluoro-1,3-dimethyl-2-nitrobenzene, 98%

CAS: 315-12-8 Molecular Formula: C8H8FNO2 Molecular Weight (g/mol): 169.155 MDL Number: MFCD03413407 InChI Key: KDPQDERPJHLWGF-UHFFFAOYSA-N Synonym: 2,6-dimethyl-4-fluoronitrobenzene,5-fluoro-2-nitro-m-xylene,1,3-dimethyl-5-fluoro-2-nitrobenzene,benzene, 5-fluoro-1,3-dimethyl-2-nitro,4-fluoro-2,6-dimethyl-1-nitrobenzene,benzene,5-fluoro-1,3-dimethyl-2-nitro,5-fluoro-2-nitro-1,3-dimethylbenzene PubChem CID: 12651353 IUPAC Name: 5-fluoro-1,3-dimethyl-2-nitrobenzene SMILES: CC1=CC(=CC(=C1[N+](=O)[O-])C)F

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PubChem CID	12651353
CAS	315-12-8
Molecular Weight (g/mol)	169.155
MDL Number	MFCD03413407
SMILES	CC1=CC(=CC(=C1[N+](=O)[O-])C)F
Synonym	2,6-dimethyl-4-fluoronitrobenzene,5-fluoro-2-nitro-m-xylene,1,3-dimethyl-5-fluoro-2-nitrobenzene,benzene, 5-fluoro-1,3-dimethyl-2-nitro,4-fluoro-2,6-dimethyl-1-nitrobenzene,benzene,5-fluoro-1,3-dimethyl-2-nitro,5-fluoro-2-nitro-1,3-dimethylbenzene
IUPAC Name	5-fluoro-1,3-dimethyl-2-nitrobenzene
InChI Key	KDPQDERPJHLWGF-UHFFFAOYSA-N
Molecular Formula	C8H8FNO2

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2-Chloro-4-nitrotoluene, 98%

CAS: 121-86-8 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007210 InChI Key: LLYXJBROWQDVMI-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrotoluene,benzene, 2-chloro-1-methyl-4-nitro,o-chloro-p-nitrotoluol,toluene, 2-chloro-4-nitro,3-chloro-4-methylnitrobenzene,2-chlor-4-nitrotoluen,unii-9t26lnr6t8,2-chloro-4-nitrotoluen czech,2,4-chloronitrotoluene,2-chloro-4-nitro-1-methylbenzene PubChem CID: 8491 IUPAC Name: 2-chloro-1-methyl-4-nitrobenzene SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])Cl

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PubChem CID	8491
CAS	121-86-8
Molecular Weight (g/mol)	171.58
MDL Number	MFCD00007210
SMILES	CC1=C(C=C(C=C1)[N+](=O)[O-])Cl
Synonym	2-chloro-4-nitrotoluene,benzene, 2-chloro-1-methyl-4-nitro,o-chloro-p-nitrotoluol,toluene, 2-chloro-4-nitro,3-chloro-4-methylnitrobenzene,2-chlor-4-nitrotoluen,unii-9t26lnr6t8,2-chloro-4-nitrotoluen czech,2,4-chloronitrotoluene,2-chloro-4-nitro-1-methylbenzene
IUPAC Name	2-chloro-1-methyl-4-nitrobenzene
InChI Key	LLYXJBROWQDVMI-UHFFFAOYSA-N
Molecular Formula	C7H6ClNO2

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4-Methylsulfonyl-2-nitrotoluene, 99%

CAS: 1671-49-4 Molecular Formula: C8H9NO4S Molecular Weight (g/mol): 215.22 MDL Number: MFCD00047808 InChI Key: OXBDLEXAVKAJFD-UHFFFAOYSA-N Synonym: 4-methylsulfonyl-2-nitrotoluene,1-methyl-4-methylsulfonyl-2-nitrobenzene,2-nitro-4-methylsulfonyltoluene,4-mesyl-2-nitrotoluene,4-methanesulfonyl-1-methyl-2-nitrobenzene,methyl 3-nitro-p-tolyl sulfone,benzene, 1-methyl-4-methylsulfonyl-2-nitro,2-nitro-4-methylsulf,ksc532k5r,4-methy-2-nitrosulfonyl toluene PubChem CID: 687125 SMILES: CC1=CC=C(C=C1[N+]([O-])=O)S(C)(=O)=O

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PubChem CID	687125
CAS	1671-49-4
Molecular Weight (g/mol)	215.22
MDL Number	MFCD00047808
SMILES	CC1=CC=C(C=C1[N+]([O-])=O)S(C)(=O)=O
Synonym	4-methylsulfonyl-2-nitrotoluene,1-methyl-4-methylsulfonyl-2-nitrobenzene,2-nitro-4-methylsulfonyltoluene,4-mesyl-2-nitrotoluene,4-methanesulfonyl-1-methyl-2-nitrobenzene,methyl 3-nitro-p-tolyl sulfone,benzene, 1-methyl-4-methylsulfonyl-2-nitro,2-nitro-4-methylsulf,ksc532k5r,4-methy-2-nitrosulfonyl toluene
InChI Key	OXBDLEXAVKAJFD-UHFFFAOYSA-N
Molecular Formula	C8H9NO4S

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2-Bromo-6-nitrotoluene, 98%

CAS: 55289-35-5 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD00009792 InChI Key: LYTNSGFSAXWBCA-UHFFFAOYSA-N Synonym: 2-bromo-6-nitrotoluene,6-bromo-2-nitrotoluene,3-bromo-2-methylnitrobenzene,1-bromo-2-methyl-3-nitro-benzene,benzene, 1-bromo-2-methyl-3-nitro,bromo 2--6-nitrotoluene,2-bromo-6-nitrotoluene,2-nitro-6-bromotoluene,3-bromo-2-methyl-1-nitrobenzene,1-brom-2-methyl-3-nitrobenzol,pubchem3823 PubChem CID: 123537 IUPAC Name: 1-bromo-2-methyl-3-nitrobenzene SMILES: CC1=C(C=CC=C1Br)[N+](=O)[O-]

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PubChem CID	123537
CAS	55289-35-5
Molecular Weight (g/mol)	216.034
MDL Number	MFCD00009792
SMILES	CC1=C(C=CC=C1Br)[N+](=O)[O-]
Synonym	2-bromo-6-nitrotoluene,6-bromo-2-nitrotoluene,3-bromo-2-methylnitrobenzene,1-bromo-2-methyl-3-nitro-benzene,benzene, 1-bromo-2-methyl-3-nitro,bromo 2--6-nitrotoluene,2-bromo-6-nitrotoluene,2-nitro-6-bromotoluene,3-bromo-2-methyl-1-nitrobenzene,1-brom-2-methyl-3-nitrobenzol,pubchem3823
IUPAC Name	1-bromo-2-methyl-3-nitrobenzene
InChI Key	LYTNSGFSAXWBCA-UHFFFAOYSA-N
Molecular Formula	C7H6BrNO2

2-(2-Methyl-6-nitrophenyl)acetic acid, 95%, Thermo Scientific Chemicals

CAS: 23876-18-8 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00066313 InChI Key: WFKNETIJXXWRHO-UHFFFAOYSA-N Synonym: 2-2-methyl-6-nitrophenyl acetic acid,2-methyl-6-nitrophenylacetic acid,2-methyl-6-nitrophenyl acetic acid,2-methyl-6-nitro-phenylacetic acid,2-6-methyl-2-nitrophenyl acetic acid PubChem CID: 675115 SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])CC(=O)O

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PubChem CID	675115
CAS	23876-18-8
Molecular Weight (g/mol)	195.174
MDL Number	MFCD00066313
SMILES	CC1=C(C(=CC=C1)[N+](=O)[O-])CC(=O)O
Synonym	2-2-methyl-6-nitrophenyl acetic acid,2-methyl-6-nitrophenylacetic acid,2-methyl-6-nitrophenyl acetic acid,2-methyl-6-nitro-phenylacetic acid,2-6-methyl-2-nitrophenyl acetic acid
InChI Key	WFKNETIJXXWRHO-UHFFFAOYSA-N
Molecular Formula	C9H9NO4

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4-Bromo-2-nitrotoluene, 99%

CAS: 60956-26-5 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD00041243 InChI Key: KZNXALJXBRSMFL-UHFFFAOYSA-N Synonym: 4-bromo-2-nitrotoluene,2-nitro-4-bromotoluene,4-bromo-6-nitrotoluene,bromo 4--2-nitrotoluene,5-bromo-2-methylnitrobenzene,benzene, 4-bromo-1-methyl-2-nitro,4-bromo-1-methyl-2-nitro-benzene,4-brom-2-nitrotoluol,pubchem10403,maybridge1_002072 PubChem CID: 123546 IUPAC Name: 4-bromo-1-methyl-2-nitrobenzene SMILES: CC1=C(C=C(C=C1)Br)[N+](=O)[O-]

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Specifications

PubChem CID	123546
CAS	60956-26-5
Molecular Weight (g/mol)	216.034
MDL Number	MFCD00041243
SMILES	CC1=C(C=C(C=C1)Br)[N+](=O)[O-]
Synonym	4-bromo-2-nitrotoluene,2-nitro-4-bromotoluene,4-bromo-6-nitrotoluene,bromo 4--2-nitrotoluene,5-bromo-2-methylnitrobenzene,benzene, 4-bromo-1-methyl-2-nitro,4-bromo-1-methyl-2-nitro-benzene,4-brom-2-nitrotoluol,pubchem10403,maybridge1_002072
IUPAC Name	4-bromo-1-methyl-2-nitrobenzene
InChI Key	KZNXALJXBRSMFL-UHFFFAOYSA-N
Molecular Formula	C7H6BrNO2

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4-Methyl-2-nitroaniline, 99%

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Specifications

PubChem CID	6978
CAS	89-62-3
Molecular Weight (g/mol)	152.15
ChEBI	CHEBI:66920
MDL Number	MFCD00007907
SMILES	CC1=CC=C(N)C(=C1)[N+]([O-])=O
Synonym	2-nitro-p-toluidine,4-amino-3-nitrotoluene,3-nitro-4-toluidine,fast red gl,3-nitro-4-aminotoluene,fast red gl base,benzenamine, 4-methyl-2-nitro,2-nitro-4-methylaniline,4-methyl-6-nitroaniline,mnpt
IUPAC Name	4-methyl-2-nitroaniline
InChI Key	DLURHXYXQYMPLT-UHFFFAOYSA-N
Molecular Formula	C7H8N2O2

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