Nitrobenzoic acids and derivatives

Organic compounds that consist of benzoic acid with a nitro group substitution; a nitro group has a nitrogen atom bonded to two oxygen groups in a single and a double bond. Includes compounds that are directly derived from nitrobenzoic acid.

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16 – 30 of 1,059 results

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2-Chloro-3-nitrobenzoic acid, 98%

CAS: 3970-35-2 Molecular Formula: C₇H₄ClNO₄ Molecular Weight (g/mol): 201.57 MDL Number: MFCD00007069 InChI Key: JRQDVRIQJJPHEQ-UHFFFAOYSA-N Synonym: 2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid PubChem CID: 19870 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O

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PubChem CID	19870
CAS	3970-35-2
Molecular Weight (g/mol)	201.57
MDL Number	MFCD00007069
SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O
Synonym	2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid
InChI Key	JRQDVRIQJJPHEQ-UHFFFAOYSA-N
Molecular Formula	C₇H₄ClNO₄

2-Amino-3-nitrobenzoic acid, 97%, Thermo Scientific Chemicals

CAS: 606-18-8 Molecular Formula: C₇H₆N₂O₄ Molecular Weight (g/mol): 182.13 InChI Key: JJPIVRWTAGQTPQ-UHFFFAOYSA-N Synonym: 2-amino-3-nitrobenzoic acid,3-nitroanthranilic acid,benzoic acid, 2-amino-3-nitro,2-amino-3-nitrobenzonic acid,2-amino-3-nitro-benzoic acid,2-amino-3-nitro benzoic acid,pubchem2233,amino-3-nitrobenzoic acid,2-amino-nitro-benzoesaure,2-carboxy-6-nitroaniline PubChem CID: 219633 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])N)C(=O)O

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PubChem CID	219633
CAS	606-18-8
Molecular Weight (g/mol)	182.13
SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])N)C(=O)O
Synonym	2-amino-3-nitrobenzoic acid,3-nitroanthranilic acid,benzoic acid, 2-amino-3-nitro,2-amino-3-nitrobenzonic acid,2-amino-3-nitro-benzoic acid,2-amino-3-nitro benzoic acid,pubchem2233,amino-3-nitrobenzoic acid,2-amino-nitro-benzoesaure,2-carboxy-6-nitroaniline
InChI Key	JJPIVRWTAGQTPQ-UHFFFAOYSA-N
Molecular Formula	C₇H₆N₂O₄

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4-Hydroxy-3-nitrobenzoic acid, 98%

CAS: 616-82-0 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007119 InChI Key: QRYSWXFQLFLJTC-UHFFFAOYSA-N Synonym: 4-hydroxy-3-nitrobenzoic acid,3-nitro-4-hydroxybenzoic acid,benzoic acid, 4-hydroxy-3-nitro,3-nitro-4-hydrobenzoic acid,4-hydroxy-3-nitro-benzoic acid,nhb,pubchem18981,acmc-1auqv,3,4-nitrohydroxybenzoic acid,ksc489q0p PubChem CID: 12033 IUPAC Name: 4-hydroxy-3-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(O)C(=C1)[N+]([O-])=O

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PubChem CID	12033
CAS	616-82-0
Molecular Weight (g/mol)	183.12
MDL Number	MFCD00007119
SMILES	OC(=O)C1=CC=C(O)C(=C1)[N+]([O-])=O
Synonym	4-hydroxy-3-nitrobenzoic acid,3-nitro-4-hydroxybenzoic acid,benzoic acid, 4-hydroxy-3-nitro,3-nitro-4-hydrobenzoic acid,4-hydroxy-3-nitro-benzoic acid,nhb,pubchem18981,acmc-1auqv,3,4-nitrohydroxybenzoic acid,ksc489q0p
IUPAC Name	4-hydroxy-3-nitrobenzoic acid
InChI Key	QRYSWXFQLFLJTC-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

5-Hydroxy-2-nitrobenzoic acid, Thermo Scientific™

CAS: 610-37-7 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.119 MDL Number: MFCD00017566 InChI Key: BUHKQTKKZAXSMH-UHFFFAOYSA-N PubChem CID: 11882 SMILES: C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-]

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PubChem CID	11882
CAS	610-37-7
Molecular Weight (g/mol)	183.119
MDL Number	MFCD00017566
SMILES	C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-]
InChI Key	BUHKQTKKZAXSMH-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

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2-Methyl-4-nitrobenzoic acid, 98%

CAS: 1975-51-5 Molecular Formula: C₈H₇NO₄ Molecular Weight (g/mol): 181.15 InChI Key: XXXOBNJIIZQSPT-UHFFFAOYSA-N Synonym: 2-methyl-4-nitrobenzoic acid,4-nitro-o-toluic acid,2-methyl-4-nitro-benzoic acid,2-methyl-4-nitrobenzoicacid,4-nitro-2-methylbenzoic acid,benzoic acid, 2-methyl-4-nitro,pubchem8363,acmc-1bsab,2-carboxy-5-nitrotoluene,2-methyl4-nitrobenzoic acid PubChem CID: 74790 SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O

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PubChem CID	74790
CAS	1975-51-5
Molecular Weight (g/mol)	181.15
SMILES	CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O
Synonym	2-methyl-4-nitrobenzoic acid,4-nitro-o-toluic acid,2-methyl-4-nitro-benzoic acid,2-methyl-4-nitrobenzoicacid,4-nitro-2-methylbenzoic acid,benzoic acid, 2-methyl-4-nitro,pubchem8363,acmc-1bsab,2-carboxy-5-nitrotoluene,2-methyl4-nitrobenzoic acid
InChI Key	XXXOBNJIIZQSPT-UHFFFAOYSA-N
Molecular Formula	C₈H₇NO₄

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Methyl 3-nitrobenzoate, 98+%

CAS: 618-95-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007250 InChI Key: AXLYJLKKPUICKV-UHFFFAOYSA-N Synonym: 3-nitrobenzoic acid methyl ester,methyl m-nitrobenzoate,methyl3-nitrobenzoate,benzoic acid, 3-nitro-, methyl ester,m-nitrobenzoic acid, methyl ester,benzoic acid, m-nitro-, methyl ester,3-nitro-benzoic acid methyl ester,3-nitro-benzoicacimethylester,acmc-209mxc,methyl 3-nitro-benzoate PubChem CID: 69260 IUPAC Name: methyl 3-nitrobenzoate SMILES: COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

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PubChem CID	69260
CAS	618-95-1
Molecular Weight (g/mol)	181.147
MDL Number	MFCD00007250
SMILES	COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
Synonym	3-nitrobenzoic acid methyl ester,methyl m-nitrobenzoate,methyl3-nitrobenzoate,benzoic acid, 3-nitro-, methyl ester,m-nitrobenzoic acid, methyl ester,benzoic acid, m-nitro-, methyl ester,3-nitro-benzoic acid methyl ester,3-nitro-benzoicacimethylester,acmc-209mxc,methyl 3-nitro-benzoate
IUPAC Name	methyl 3-nitrobenzoate
InChI Key	AXLYJLKKPUICKV-UHFFFAOYSA-N
Molecular Formula	C8H7NO4

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Methyl 4,5-dimethoxy-2-nitrobenzoate, 97%

CAS: 26791-93-5 Molecular Formula: C10H11NO6 Molecular Weight (g/mol): 241.199 MDL Number: MFCD00007239 InChI Key: SYYKLKHBZGFKOC-UHFFFAOYSA-N Synonym: methyl 6-nitroveratrate,benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester,6-nitroveratric acid methyl ester,4,5-dimethoxy-2-nitrobenzoic acid, methyl ester,methyl 4,5-dimethoxy-2-nitro-benzoate,acmc-1cptq,ksc496m9r,methyl 3,4-dimethoxy-6-nitrobenzoate,methyl 3,4-dimethoxy-6-nitro-benzoate,methyl 4,5-dimethoxy-2-nitrobenzoate PubChem CID: 117867 IUPAC Name: methyl 4,5-dimethoxy-2-nitrobenzoate SMILES: COC1=C(C=C(C(=C1)C(=O)OC)[N+](=O)[O-])OC

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PubChem CID	117867
CAS	26791-93-5
Molecular Weight (g/mol)	241.199
MDL Number	MFCD00007239
SMILES	COC1=C(C=C(C(=C1)C(=O)OC)[N+](=O)[O-])OC
Synonym	methyl 6-nitroveratrate,benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester,6-nitroveratric acid methyl ester,4,5-dimethoxy-2-nitrobenzoic acid, methyl ester,methyl 4,5-dimethoxy-2-nitro-benzoate,acmc-1cptq,ksc496m9r,methyl 3,4-dimethoxy-6-nitrobenzoate,methyl 3,4-dimethoxy-6-nitro-benzoate,methyl 4,5-dimethoxy-2-nitrobenzoate
IUPAC Name	methyl 4,5-dimethoxy-2-nitrobenzoate
InChI Key	SYYKLKHBZGFKOC-UHFFFAOYSA-N
Molecular Formula	C10H11NO6

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Ethyl 2-nitrobenzoate, 97%

CAS: 610-34-4 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00014696 InChI Key: CPNMAYYYYSWTIV-UHFFFAOYSA-N Synonym: ethyl o-nitrobenzoate,ethyl nitrobenzoate,benzoic acid, o-nitro-, ethyl ester,benzoic acid, 2-nitro-, ethyl ester,nitrobenzoesaureathylester,acmc-1aul6,2-nitro-benzoic acid ethyl ester PubChem CID: 69123 IUPAC Name: ethyl 2-nitrobenzoate SMILES: CCOC(=O)C1=CC=CC=C1[N+]([O-])=O

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PubChem CID	69123
CAS	610-34-4
Molecular Weight (g/mol)	195.17
MDL Number	MFCD00014696
SMILES	CCOC(=O)C1=CC=CC=C1[N+]([O-])=O
Synonym	ethyl o-nitrobenzoate,ethyl nitrobenzoate,benzoic acid, o-nitro-, ethyl ester,benzoic acid, 2-nitro-, ethyl ester,nitrobenzoesaureathylester,acmc-1aul6,2-nitro-benzoic acid ethyl ester
IUPAC Name	ethyl 2-nitrobenzoate
InChI Key	CPNMAYYYYSWTIV-UHFFFAOYSA-N
Molecular Formula	C9H9NO4

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Methyl 2-fluoro-5-nitrobenzoate, 98%

CAS: 2965-22-2 Molecular Formula: C8H6FNO4 Molecular Weight (g/mol): 199.137 MDL Number: MFCD06203689 InChI Key: JZLONOOYIXEAHM-UHFFFAOYSA-N Synonym: methyl 2-fluoro-5-nitrobenzenecarboxylate,2-fluoro-5-nitrobenzoic acid methyl ester,5-nitro-2-fluorobenzoic acid methyl ester,benzoicacid, 2-fluoro-5-nitro-, methyl ester,benzoic acid, 2-fluoro-5-nitro-, methyl ester,methyl 2-fluoro-5-nitro-benzoate,acmc-209ha6,ksc563m1n,methyl2-fluoro-5-nitrobenzoate,4-fluoro-3-methoxycarbonyl nitrobenzene PubChem CID: 11217860 IUPAC Name: methyl 2-fluoro-5-nitrobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])F

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PubChem CID	11217860
CAS	2965-22-2
Molecular Weight (g/mol)	199.137
MDL Number	MFCD06203689
SMILES	COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])F
Synonym	methyl 2-fluoro-5-nitrobenzenecarboxylate,2-fluoro-5-nitrobenzoic acid methyl ester,5-nitro-2-fluorobenzoic acid methyl ester,benzoicacid, 2-fluoro-5-nitro-, methyl ester,benzoic acid, 2-fluoro-5-nitro-, methyl ester,methyl 2-fluoro-5-nitro-benzoate,acmc-209ha6,ksc563m1n,methyl2-fluoro-5-nitrobenzoate,4-fluoro-3-methoxycarbonyl nitrobenzene
IUPAC Name	methyl 2-fluoro-5-nitrobenzoate
InChI Key	JZLONOOYIXEAHM-UHFFFAOYSA-N
Molecular Formula	C8H6FNO4

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2-Fluoro-5-nitrobenzoic acid, 98%

CAS: 7304-32-7 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00134238 InChI Key: ICXSHFWYCHJILC-UHFFFAOYSA-N Synonym: 2-fluoro-5-nitrobenzoic acid,2-fluoro-5-nitrobenzoicacid,2-fluoro-5-nitro-benzoic acid,benzoic acid, 2-fluoro-5-nitro,2-fluoro-5-nitro-benzoicacid,pubchem1307,acmc-209op6,ksc377e3h,2-fluoro-5-nitrobenzotc acid,2-fluoro-5-nitro benzoic acid PubChem CID: 280997 IUPAC Name: 2-fluoro-5-nitrobenzoic acid SMILES: OC(=O)C1=CC(=CC=C1F)[N+]([O-])=O

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PubChem CID	280997
CAS	7304-32-7
Molecular Weight (g/mol)	185.11
MDL Number	MFCD00134238
SMILES	OC(=O)C1=CC(=CC=C1F)[N+]([O-])=O
Synonym	2-fluoro-5-nitrobenzoic acid,2-fluoro-5-nitrobenzoicacid,2-fluoro-5-nitro-benzoic acid,benzoic acid, 2-fluoro-5-nitro,2-fluoro-5-nitro-benzoicacid,pubchem1307,acmc-209op6,ksc377e3h,2-fluoro-5-nitrobenzotc acid,2-fluoro-5-nitro benzoic acid
IUPAC Name	2-fluoro-5-nitrobenzoic acid
InChI Key	ICXSHFWYCHJILC-UHFFFAOYSA-N
Molecular Formula	C7H4FNO4

Ethyl 4-nitrobenzoate, 99%

CAS: 99-77-4 Molecular Formula: C₉H₉NO₄ Molecular Weight (g/mol): 195.17 MDL Number: MFCD00007351 InChI Key: PHWSCBWNPZDYRI-UHFFFAOYSA-N Synonym: ethyl p-nitrobenzoate,benzoic acid, 4-nitro-, ethyl ester,4-nitrobenzoic acid ethyl ester,ethyl nitrobenzoate, para ester,p-nitrobenzoic acid, ethyl ester,4-ethoxycarbonyl nitrobenzene,benzoic acid, p-nitro-, ethyl ester,ethyl-p-nitrobenzoate,unii-1och6y8nar,ethyl para-nitrobenzoate PubChem CID: 7457 IUPAC Name: ethyl 4-nitrobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

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PubChem CID	7457
CAS	99-77-4
Molecular Weight (g/mol)	195.17
MDL Number	MFCD00007351
SMILES	CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Synonym	ethyl p-nitrobenzoate,benzoic acid, 4-nitro-, ethyl ester,4-nitrobenzoic acid ethyl ester,ethyl nitrobenzoate, para ester,p-nitrobenzoic acid, ethyl ester,4-ethoxycarbonyl nitrobenzene,benzoic acid, p-nitro-, ethyl ester,ethyl-p-nitrobenzoate,unii-1och6y8nar,ethyl para-nitrobenzoate
IUPAC Name	ethyl 4-nitrobenzoate
InChI Key	PHWSCBWNPZDYRI-UHFFFAOYSA-N
Molecular Formula	C₉H₉NO₄

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2-Methyl-6-nitrobenzoic acid, 99%, Thermo Scientific™

CAS: 13506-76-8 Molecular Formula: C₈H₇NO₄ Molecular Weight (g/mol): 181.15 InChI Key: CCXSGQZMYLXTOI-UHFFFAOYSA-N Synonym: 2-methyl-6-nitrobenzoic acid,6-nitro-o-toluic acid,benzoic acid, 2-methyl-6-nitro,6-methyl-2-nitrobenzoic acid,2-methyl-6-nitro-benzoic acid,o-toluic acid, 6-nitro,2-methyl-6-nitrobenzoicacid,unii-jm85y56dx1,nitrotoluylsaure,nitro-ortho-toluic acid PubChem CID: 16097 SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O

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PubChem CID	16097
CAS	13506-76-8
Molecular Weight (g/mol)	181.15
SMILES	CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O
Synonym	2-methyl-6-nitrobenzoic acid,6-nitro-o-toluic acid,benzoic acid, 2-methyl-6-nitro,6-methyl-2-nitrobenzoic acid,2-methyl-6-nitro-benzoic acid,o-toluic acid, 6-nitro,2-methyl-6-nitrobenzoicacid,unii-jm85y56dx1,nitrotoluylsaure,nitro-ortho-toluic acid
InChI Key	CCXSGQZMYLXTOI-UHFFFAOYSA-N
Molecular Formula	C₈H₇NO₄

2-Nitro-4-(trifluoromethyl)benzoic acid, 98%

CAS: 320-94-5 Molecular Formula: C8H4F3NO4 Molecular Weight (g/mol): 235.118 MDL Number: MFCD00007142 InChI Key: MYSAXQPTXWKDPQ-UHFFFAOYSA-N Synonym: 2-nitro-4-trifluoromethyl benzoic acid,2-nitro-4-trifluoromethylbenzoic acid,ntfa,4-trifluoromethyl-2-nitrobenzoic acid,benzoic acid, 2-nitro-4-trifluoromethyl,unii-k9m35sv4p3,2-nitro-4-trifluoromethyl-benzoic acid,pubchem4539,acmc-1ahai,2ntf-boa PubChem CID: 642096 SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O

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PubChem CID	642096
CAS	320-94-5
Molecular Weight (g/mol)	235.118
MDL Number	MFCD00007142
SMILES	C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O
Synonym	2-nitro-4-trifluoromethyl benzoic acid,2-nitro-4-trifluoromethylbenzoic acid,ntfa,4-trifluoromethyl-2-nitrobenzoic acid,benzoic acid, 2-nitro-4-trifluoromethyl,unii-k9m35sv4p3,2-nitro-4-trifluoromethyl-benzoic acid,pubchem4539,acmc-1ahai,2ntf-boa
InChI Key	MYSAXQPTXWKDPQ-UHFFFAOYSA-N
Molecular Formula	C8H4F3NO4

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4-Bromomethyl-3-nitrobenzoic acid, 97%

CAS: 55715-03-2 Molecular Formula: C8H6BrNO4 Molecular Weight (g/mol): 260.043 MDL Number: MFCD00216575 InChI Key: QMAHVAFURJBOFV-UHFFFAOYSA-N Synonym: 4-bromomethyl-3-nitrobenzoic acid,4-bromomethyl-3-nitrobenzoicacid,benzoic acid, 4-bromomethyl-3-nitro,3-nitro-4-bromomethylbenzoic acid,bnba,acmc-1auor,ksc495i9f,3-nitro-4-bromomethyl benzoic acid,4-bromomethyl-3-nitro benzoic acid PubChem CID: 132386 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CBr

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PubChem CID	132386
CAS	55715-03-2
Molecular Weight (g/mol)	260.043
MDL Number	MFCD00216575
SMILES	C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CBr
Synonym	4-bromomethyl-3-nitrobenzoic acid,4-bromomethyl-3-nitrobenzoicacid,benzoic acid, 4-bromomethyl-3-nitro,3-nitro-4-bromomethylbenzoic acid,bnba,acmc-1auor,ksc495i9f,3-nitro-4-bromomethyl benzoic acid,4-bromomethyl-3-nitro benzoic acid
InChI Key	QMAHVAFURJBOFV-UHFFFAOYSA-N
Molecular Formula	C8H6BrNO4

2-Amino-4-nitrobenzoic acid, 97%

CAS: 619-17-0 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.14 MDL Number: MFCD00007262 InChI Key: UEALKTCRMBVTFN-UHFFFAOYSA-N Synonym: 2-amino-4-nitrobenzoic acid,4-nitroanthranilic acid,benzoic acid, 2-amino-4-nitro,2-amino-4-nitrobenzoicacid,anthranilic acid, 4-nitro,ccris 441,2-amino-4-nitro-benzoic acid,4-nitro-2-aminobenzoic acid,dsstox_cid_963,dsstox_rid_75891 PubChem CID: 12076 ChEBI: CHEBI:75335 IUPAC Name: 2-amino-4-nitrobenzoic acid SMILES: NC1=CC(=CC=C1C(O)=O)[N+]([O-])=O

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PubChem CID	12076
CAS	619-17-0
Molecular Weight (g/mol)	182.14
ChEBI	CHEBI:75335
MDL Number	MFCD00007262
SMILES	NC1=CC(=CC=C1C(O)=O)[N+]([O-])=O
Synonym	2-amino-4-nitrobenzoic acid,4-nitroanthranilic acid,benzoic acid, 2-amino-4-nitro,2-amino-4-nitrobenzoicacid,anthranilic acid, 4-nitro,ccris 441,2-amino-4-nitro-benzoic acid,4-nitro-2-aminobenzoic acid,dsstox_cid_963,dsstox_rid_75891
IUPAC Name	2-amino-4-nitrobenzoic acid
InChI Key	UEALKTCRMBVTFN-UHFFFAOYSA-N
Molecular Formula	C7H6N2O4

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