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Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Benzene and substituted derivatives (67,607)
Phenols (13,420)
Naphthalenes (5,064)
Fluorenes (1,235)
Unsubstituted Phenols (1,165)
Thiophenols (617)
Phenol esters (557)
Anthracenes (412)
Phenanthrenes and derivatives (327)
Tetralins (327)
Indanes (313)
Triphenyl compounds (277)
Pyrenes (229)
Dibenzocycloheptenes (62)
Naphthacenes (36)
Ellagic acids and derivatives (33)
Pentacenes (19)
Pentacenequinones (16)
Acenaphthylenes (15)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (6)

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9,301 – 9,315 of 78,418 results
9,301

4-Nitrobenzoic Acid 99.0+%, TCI America™

CAS: 62-23-7 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007352 InChI Key: OTLNPYWUJOZPPA-UHFFFAOYSA-N Synonym: 4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova PubChem CID: 6108 ChEBI: CHEBI:262350 SMILES: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

PubChem CID 6108
CAS 62-23-7
Molecular Weight (g/mol) 167.12
ChEBI CHEBI:262350
MDL Number MFCD00007352
SMILES C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
Synonym 4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova
InChI Key OTLNPYWUJOZPPA-UHFFFAOYSA-N
Molecular Formula C7H5NO4
9,302

Dimethyl 3-Nitrophthalate 99.0+%, TCI America™

CAS: 13365-26-9 Molecular Formula: C10H9NO6 Molecular Weight (g/mol): 239.183 MDL Number: MFCD00017184 InChI Key: MLQMIKSBTAZNBK-UHFFFAOYSA-N PubChem CID: 249912 IUPAC Name: dimethyl 3-nitrobenzene-1,2-dicarboxylate SMILES: COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC

PubChem CID 249912
CAS 13365-26-9
Molecular Weight (g/mol) 239.183
MDL Number MFCD00017184
SMILES COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC
IUPAC Name dimethyl 3-nitrobenzene-1,2-dicarboxylate
InChI Key MLQMIKSBTAZNBK-UHFFFAOYSA-N
Molecular Formula C10H9NO6
9,303

2-Methyl-6-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 13506-76-8 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007267 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

PubChem CID 16097
CAS 13506-76-8
Molecular Weight (g/mol) 181.147
MDL Number MFCD00007267
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
9,304

Methyl 4-Chloro-3-nitrobenzoate 98.0+%, TCI America™

CAS: 14719-83-6 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.59 MDL Number: MFCD00016989 InChI Key: XRTKWPWDSUNLHS-UHFFFAOYSA-N Synonym: methyl 4-chloro-3-nitrobenzate,4-chloro-3-nitrobenzoic acid methyl ester,methyl-4-chloro-3-nitrobenzoate,benzoic acid, 4-chloro-3-nitro-, methyl ester,acmc-209cya,methyl-3-nitro-4-chlorobenzoate,methyl 3-nitro-4-chlorobenzoate,xrtkwpwdsunlhs-uhfffaoysa,methyl 4-chloro-3-nitro-benzoate,methyl4-chloro-3-nitrobenzoate PubChem CID: 735797 IUPAC Name: methyl 4-chloro-3-nitrobenzoate SMILES: COC(=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O

PubChem CID 735797
CAS 14719-83-6
Molecular Weight (g/mol) 215.59
MDL Number MFCD00016989
SMILES COC(=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O
Synonym methyl 4-chloro-3-nitrobenzate,4-chloro-3-nitrobenzoic acid methyl ester,methyl-4-chloro-3-nitrobenzoate,benzoic acid, 4-chloro-3-nitro-, methyl ester,acmc-209cya,methyl-3-nitro-4-chlorobenzoate,methyl 3-nitro-4-chlorobenzoate,xrtkwpwdsunlhs-uhfffaoysa,methyl 4-chloro-3-nitro-benzoate,methyl4-chloro-3-nitrobenzoate
IUPAC Name methyl 4-chloro-3-nitrobenzoate
InChI Key XRTKWPWDSUNLHS-UHFFFAOYSA-N
Molecular Formula C8H6ClNO4
9,305

5-Nitroisophthalic Acid 99.0+%, TCI America™

CAS: 618-88-2 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007254 InChI Key: NBDAHKQJXVLAID-UHFFFAOYSA-N Synonym: 5-nitroisophthalic acid,5-nitrobenzene-1,3-dicarboxylic acid,5-nitro-1,3-benzenedicarboxylic acid,1,3-benzenedicarboxylic acid, 5-nitro,5-nitroisophthalicacid,5-nitro-m-phthalic acid,unii-g7rz7lc76u,isophthalic acid, 5-nitro,1-nitrobenzene-3,5-dicarboxylic acid,g7rz7lc76u PubChem CID: 12069 SMILES: C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

PubChem CID 12069
CAS 618-88-2
Molecular Weight (g/mol) 211.129
MDL Number MFCD00007254
SMILES C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
Synonym 5-nitroisophthalic acid,5-nitrobenzene-1,3-dicarboxylic acid,5-nitro-1,3-benzenedicarboxylic acid,1,3-benzenedicarboxylic acid, 5-nitro,5-nitroisophthalicacid,5-nitro-m-phthalic acid,unii-g7rz7lc76u,isophthalic acid, 5-nitro,1-nitrobenzene-3,5-dicarboxylic acid,g7rz7lc76u
InChI Key NBDAHKQJXVLAID-UHFFFAOYSA-N
Molecular Formula C8H5NO6
9,306

2-Nitrobenzoic Acid 90.0+%, TCI America™

CAS: 552-16-9 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007137 InChI Key: SLAMLWHELXOEJZ-UHFFFAOYSA-N Synonym: 2-nitrobenzoic acid,o-nitrobenzoic acid,benzoic acid, 2-nitro,2-nitrobenzoicacid,o-carboxynitrobenzene,benzoic acid, o-nitro,nitrobenzoic acid,2-nitro-benzoic acid,ccris 2334,2-nitro benzoic acid PubChem CID: 11087 ChEBI: CHEBI:25620 SMILES: C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]

PubChem CID 11087
CAS 552-16-9
Molecular Weight (g/mol) 167.12
ChEBI CHEBI:25620
MDL Number MFCD00007137
SMILES C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]
Synonym 2-nitrobenzoic acid,o-nitrobenzoic acid,benzoic acid, 2-nitro,2-nitrobenzoicacid,o-carboxynitrobenzene,benzoic acid, o-nitro,nitrobenzoic acid,2-nitro-benzoic acid,ccris 2334,2-nitro benzoic acid
InChI Key SLAMLWHELXOEJZ-UHFFFAOYSA-N
Molecular Formula C7H5NO4
9,307

Methyl 5-Methyl-2-nitrobenzoate 98.0+%, TCI America™

CAS: 20587-30-8 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00157275 InChI Key: KFOICDVZQKFCGM-UHFFFAOYSA-N Synonym: 5-Methyl-2-nitrobenzoic Acid Methyl Ester, Methyl 6-Nitro-m-toluate, 6-Nitro-m-toluic Acid Methyl Ester PubChem CID: 3314122 IUPAC Name: methyl 5-methyl-2-nitrobenzoate SMILES: CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)OC

PubChem CID 3314122
CAS 20587-30-8
Molecular Weight (g/mol) 195.174
MDL Number MFCD00157275
SMILES CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)OC
Synonym 5-Methyl-2-nitrobenzoic Acid Methyl Ester, Methyl 6-Nitro-m-toluate, 6-Nitro-m-toluic Acid Methyl Ester
IUPAC Name methyl 5-methyl-2-nitrobenzoate
InChI Key KFOICDVZQKFCGM-UHFFFAOYSA-N
Molecular Formula C9H9NO4
9,308

2-Bromo-3-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 573-54-6 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00074899 InChI Key: WTDJEGSXLFHZPY-UHFFFAOYSA-N Synonym: 2-bromo-3-nitrobenzoic acid,benzoic acid, 2-bromo-3-nitro,2-bromo-3-nitrobenzoicacid,2-bromo-3-nitro-benzoic acid,pubchem4714,acmc-1an8y,ksc273m5t,benzoicacid, 2-bromo-3-nitro,2-bromo-3-nitrobenzoic acid, technical grade PubChem CID: 68452 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Br)C(=O)O

PubChem CID 68452
CAS 573-54-6
Molecular Weight (g/mol) 246.016
MDL Number MFCD00074899
SMILES C1=CC(=C(C(=C1)[N+](=O)[O-])Br)C(=O)O
Synonym 2-bromo-3-nitrobenzoic acid,benzoic acid, 2-bromo-3-nitro,2-bromo-3-nitrobenzoicacid,2-bromo-3-nitro-benzoic acid,pubchem4714,acmc-1an8y,ksc273m5t,benzoicacid, 2-bromo-3-nitro,2-bromo-3-nitrobenzoic acid, technical grade
InChI Key WTDJEGSXLFHZPY-UHFFFAOYSA-N
Molecular Formula C7H4BrNO4
9,309

Methyl 2-Bromo-5-nitrobenzoate 98.0+%, TCI America™

CAS: 6942-36-5 Molecular Formula: C8H6BrNO4 Molecular Weight (g/mol): 260.043 MDL Number: MFCD00010867 InChI Key: VSEYYEKRZNRECT-UHFFFAOYSA-N Synonym: 2-bromo-5-nitrobenzoic acid methyl ester,benzoic acid, 2-bromo-5-nitro-, methyl ester,methyl 2-bromo-5-nitro-benzoate,2-bromo-5-nitro-benzoic acid methyl ester,methyl2-bromo-5-nitrobenzoate,pubchem3971,acmc-1b9le,ksc495k5r,methyl 5-nitro-2-bromobenzoate,methyl-2-bromo-5-nitrobenzoate PubChem CID: 245494 IUPAC Name: methyl 2-bromo-5-nitrobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Br

PubChem CID 245494
CAS 6942-36-5
Molecular Weight (g/mol) 260.043
MDL Number MFCD00010867
SMILES COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Br
Synonym 2-bromo-5-nitrobenzoic acid methyl ester,benzoic acid, 2-bromo-5-nitro-, methyl ester,methyl 2-bromo-5-nitro-benzoate,2-bromo-5-nitro-benzoic acid methyl ester,methyl2-bromo-5-nitrobenzoate,pubchem3971,acmc-1b9le,ksc495k5r,methyl 5-nitro-2-bromobenzoate,methyl-2-bromo-5-nitrobenzoate
IUPAC Name methyl 2-bromo-5-nitrobenzoate
InChI Key VSEYYEKRZNRECT-UHFFFAOYSA-N
Molecular Formula C8H6BrNO4
9,310

Methyl 2-Methyl-5-nitrobenzoate 98.0+%, TCI America™

CAS: 77324-87-9 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 InChI Key: TVGKPVDDCDQBRC-UHFFFAOYSA-N Synonym: methyl 5-nitro-2-methylbenzoate,2-methyl-5-nitro-benzoic acid methyl ester,2-methyl-5-nitrobenzoic acid methyl ester,methyl2-methyl-5-nitrobenzoate,methyl 3-nitro-6-methylbenzoate,benzoic acid, 2-methyl-5-nitro-, methyl ester,methyl 2-methyl-5-nitro-benzoate,acmc-1bix6,methyl 5-nitro-o-toluate,ksc495s6b PubChem CID: 4377758 IUPAC Name: methyl 2-methyl-5-nitrobenzoate SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC

PubChem CID 4377758
CAS 77324-87-9
Molecular Weight (g/mol) 195.174
SMILES CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC
Synonym methyl 5-nitro-2-methylbenzoate,2-methyl-5-nitro-benzoic acid methyl ester,2-methyl-5-nitrobenzoic acid methyl ester,methyl2-methyl-5-nitrobenzoate,methyl 3-nitro-6-methylbenzoate,benzoic acid, 2-methyl-5-nitro-, methyl ester,methyl 2-methyl-5-nitro-benzoate,acmc-1bix6,methyl 5-nitro-o-toluate,ksc495s6b
IUPAC Name methyl 2-methyl-5-nitrobenzoate
InChI Key TVGKPVDDCDQBRC-UHFFFAOYSA-N
Molecular Formula C9H9NO4
9,311

4-Hydroxy-3-nitrobenzoic Acid 98.0+%, TCI America™

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

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
9,312

5-Acetamido-2-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 4368-83-6 Molecular Formula: C9H8N2O5 Molecular Weight (g/mol): 224.172 MDL Number: MFCD00035889 InChI Key: ZSHFMOUMOUOGKI-UHFFFAOYSA-N Synonym: 5-acetamido-2-nitrobenzoic acid,5-acetylamino-2-nitrobenzoic acid,benzoic acid, 5-acetylamino-2-nitro,2-nitro-5-acetylaminobenzoic acid,5-acetamido-2-nitrobenzoicacid,pubchem13220,acmc-209jv7,5-acetamido-2-nitrobenzoic PubChem CID: 78076 ChEBI: CHEBI:86569 SMILES: CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

PubChem CID 78076
CAS 4368-83-6
Molecular Weight (g/mol) 224.172
ChEBI CHEBI:86569
MDL Number MFCD00035889
SMILES CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O
Synonym 5-acetamido-2-nitrobenzoic acid,5-acetylamino-2-nitrobenzoic acid,benzoic acid, 5-acetylamino-2-nitro,2-nitro-5-acetylaminobenzoic acid,5-acetamido-2-nitrobenzoicacid,pubchem13220,acmc-209jv7,5-acetamido-2-nitrobenzoic
InChI Key ZSHFMOUMOUOGKI-UHFFFAOYSA-N
Molecular Formula C9H8N2O5
9,313

5-Amino-2-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 13280-60-9 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.135 MDL Number: MFCD00035748 InChI Key: KZZWQCKYLNIOBT-UHFFFAOYSA-N Synonym: 5-amino-2-nitrobenzoic acid,2-nitro-5-aminobenzoic acid,benzoic acid, 5-amino-2-nitro,3-carboxy-4-nitroaniline,5-amino-2-nitro-benzoic acid,pubchem4983,acmc-1bxcb,intermediates-zcf02020,5-amino-2-nitrobenzoicacid,6-nitro-m-anthranilic acid PubChem CID: 83298 SMILES: C1=CC(=C(C=C1N)C(=O)O)[N+](=O)[O-]

PubChem CID 83298
CAS 13280-60-9
Molecular Weight (g/mol) 182.135
MDL Number MFCD00035748
SMILES C1=CC(=C(C=C1N)C(=O)O)[N+](=O)[O-]
Synonym 5-amino-2-nitrobenzoic acid,2-nitro-5-aminobenzoic acid,benzoic acid, 5-amino-2-nitro,3-carboxy-4-nitroaniline,5-amino-2-nitro-benzoic acid,pubchem4983,acmc-1bxcb,intermediates-zcf02020,5-amino-2-nitrobenzoicacid,6-nitro-m-anthranilic acid
InChI Key KZZWQCKYLNIOBT-UHFFFAOYSA-N
Molecular Formula C7H6N2O4
9,314

4-Ethoxycarbonyl-2-nitrophenylboronic Acid (contains varying amounts of Anhydride) 98.0+%, TCI America™

CAS: 5785-70-6 Molecular Formula: C9H10BNO6 Molecular Weight (g/mol): 238.99 MDL Number: MFCD02179460 InChI Key: GCDAYMSNTGTFDC-UHFFFAOYSA-N Synonym: 4-ethoxycarbonyl-2-nitrophenyl boronic acid,ethyl 4-borono-3-nitrabenzoate,ethyl 4-borono-3-nitrobenzoate,4-ethoxycarbonyl-2-nitrophenylboronic acid,4-ethoxycarbonyl-2-nitrobenzeneboronic acid,4-ethoxycarbonyl-2-nitrophenylboronicacid,acmc-1alqp,chembl91674,benzoic acid,4-borono-3-nitro-, 1-ethyl ester PubChem CID: 2773403 IUPAC Name: (4-ethoxycarbonyl-2-nitrophenyl)boronic acid SMILES: B(C1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-])(O)O

PubChem CID 2773403
CAS 5785-70-6
Molecular Weight (g/mol) 238.99
MDL Number MFCD02179460
SMILES B(C1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-])(O)O
Synonym 4-ethoxycarbonyl-2-nitrophenyl boronic acid,ethyl 4-borono-3-nitrabenzoate,ethyl 4-borono-3-nitrobenzoate,4-ethoxycarbonyl-2-nitrophenylboronic acid,4-ethoxycarbonyl-2-nitrobenzeneboronic acid,4-ethoxycarbonyl-2-nitrophenylboronicacid,acmc-1alqp,chembl91674,benzoic acid,4-borono-3-nitro-, 1-ethyl ester
IUPAC Name (4-ethoxycarbonyl-2-nitrophenyl)boronic acid
InChI Key GCDAYMSNTGTFDC-UHFFFAOYSA-N
Molecular Formula C9H10BNO6
9,315

2,5-Dimethoxy-3-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 17894-26-7 Molecular Formula: C9H9NO6 Molecular Weight (g/mol): 227.172 MDL Number: MFCD00017022 InChI Key: QCJROOYLFVYZEP-UHFFFAOYSA-N PubChem CID: 2733991 SMILES: COC1=CC(=C(C(=C1)C(=O)O)OC)[N+](=O)[O-]

PubChem CID 2733991
CAS 17894-26-7
Molecular Weight (g/mol) 227.172
MDL Number MFCD00017022
SMILES COC1=CC(=C(C(=C1)C(=O)O)OC)[N+](=O)[O-]
InChI Key QCJROOYLFVYZEP-UHFFFAOYSA-N
Molecular Formula C9H9NO6