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.

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9,166 – 9,180 of 78,418 results

9,166

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

CAS: 40757-20-8 Molecular Formula: C9H9NO5 Molecular Weight (g/mol): 211.17 MDL Number: MFCD00024213 InChI Key: ZUZYMTBOKNSYEB-UHFFFAOYSA-N Synonym: benzoic acid, 4-methoxy-3-nitro-, methyl ester,3-nitro-4-methoxybenzoic acid methyl ester,methyl 3-nitro-p-anisate,acmc-1ap03,methyl 3-nitro-4-methoxybenzoate,methyl-4-methoxy-3-nitrobenzoate,3-nitro-p-anisic acid methyl ester,4-methoxy-3-nitrobenzoic acid methyl ester,4-methoxy-3-nitro-benzoic acid methyl ester,benzoic acid, 4-methoxy-5-nitro-, methyl ester PubChem CID: 602104 IUPAC Name: methyl 4-methoxy-3-nitrobenzoate SMILES: COC(=O)C1=CC=C(OC)C(=C1)[N+]([O-])=O

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Specifications

PubChem CID	602104
CAS	40757-20-8
Molecular Weight (g/mol)	211.17
MDL Number	MFCD00024213
SMILES	COC(=O)C1=CC=C(OC)C(=C1)[N+]([O-])=O
Synonym	benzoic acid, 4-methoxy-3-nitro-, methyl ester,3-nitro-4-methoxybenzoic acid methyl ester,methyl 3-nitro-p-anisate,acmc-1ap03,methyl 3-nitro-4-methoxybenzoate,methyl-4-methoxy-3-nitrobenzoate,3-nitro-p-anisic acid methyl ester,4-methoxy-3-nitrobenzoic acid methyl ester,4-methoxy-3-nitro-benzoic acid methyl ester,benzoic acid, 4-methoxy-5-nitro-, methyl ester
IUPAC Name	methyl 4-methoxy-3-nitrobenzoate
InChI Key	ZUZYMTBOKNSYEB-UHFFFAOYSA-N
Molecular Formula	C9H9NO5

9,167

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

CAS: 610-36-6 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.135 InChI Key: SAJYSJVBNGUWJK-UHFFFAOYSA-N PubChem CID: 235713 SMILES: C1=CC(=C(C=C1N)[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	235713
CAS	610-36-6
Molecular Weight (g/mol)	182.135
SMILES	C1=CC(=C(C=C1N)[N+](=O)[O-])C(=O)O
InChI Key	SAJYSJVBNGUWJK-UHFFFAOYSA-N
Molecular Formula	C7H6N2O4

9,168

3-Trifluoromethyl-5-nitrobenzoic Acid, TCI America™

CAS: 328-80-3 Molecular Formula: C8H4F3NO4 Molecular Weight (g/mol): 235.118 MDL Number: MFCD00024509 InChI Key: ODCLHXGXGFBBTA-UHFFFAOYSA-N Synonym: 3-nitro-5-trifluoromethyl benzoic acid,3-nitro-5-trifluoromethylbenzoic acid,3-trifluoromethyl-5-nitrobenzoic acid,3-carboxy-5-nitrobenzotrifluoride,3-nitro-5 trifluoromethyl benzoic acid,benzoic acid, 3-nitro-5-trifluoromethyl,pubchem4544,acmc-1cr4t,rarechem al bo 1012 PubChem CID: 616602 SMILES: C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	616602
CAS	328-80-3
Molecular Weight (g/mol)	235.118
MDL Number	MFCD00024509
SMILES	C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O
Synonym	3-nitro-5-trifluoromethyl benzoic acid,3-nitro-5-trifluoromethylbenzoic acid,3-trifluoromethyl-5-nitrobenzoic acid,3-carboxy-5-nitrobenzotrifluoride,3-nitro-5 trifluoromethyl benzoic acid,benzoic acid, 3-nitro-5-trifluoromethyl,pubchem4544,acmc-1cr4t,rarechem al bo 1012
InChI Key	ODCLHXGXGFBBTA-UHFFFAOYSA-N
Molecular Formula	C8H4F3NO4

9,169

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

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Specifications

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

9,170

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

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Specifications

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

9,171

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-]

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Specifications

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

9,172

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

CAS: 943-14-6 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00134558 InChI Key: UVFWYVCDRKRAJH-UHFFFAOYSA-N Synonym: 2-bromo-5-nitrobenzoic acid,2-bromo-5-nitrobenzic acid,benzoic acid, 2-bromo-5-nitro,2-bromo-5-nitrobenzoicacid,2-bromo-5-nitro benzoic acid,pubchem3821,acmc-209rrc,ksc494m1r,paragos 440009,timtec-bb sbb003179 PubChem CID: 243025 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Br

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Specifications

PubChem CID	243025
CAS	943-14-6
Molecular Weight (g/mol)	246.016
MDL Number	MFCD00134558
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Br
Synonym	2-bromo-5-nitrobenzoic acid,2-bromo-5-nitrobenzic acid,benzoic acid, 2-bromo-5-nitro,2-bromo-5-nitrobenzoicacid,2-bromo-5-nitro benzoic acid,pubchem3821,acmc-209rrc,ksc494m1r,paragos 440009,timtec-bb sbb003179
InChI Key	UVFWYVCDRKRAJH-UHFFFAOYSA-N
Molecular Formula	C7H4BrNO4

9,173

2-Fluoro-4-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 403-24-7 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00275565 InChI Key: MMWFMFZFCKADEL-UHFFFAOYSA-N Synonym: 2-fluoro-4-nitrobenzoic acid,2-fluoro-4-nitrobenzenecarboxylic acid,2-fluoro-4-nitrobenzoicacid,2-fluoro-4-nitro-benzoic acid,4-carboxy-3-fluoronitrobenzene,benzoic acid, 2-fluoro-4-nitro,pubchem1310,acmc-1cts9,2-fluoro4-nitrobenzoic acid,2-fluor-4-nitro-benzoesaure PubChem CID: 302679 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)O

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Specifications

PubChem CID	302679
CAS	403-24-7
Molecular Weight (g/mol)	185.11
MDL Number	MFCD00275565
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)O
Synonym	2-fluoro-4-nitrobenzoic acid,2-fluoro-4-nitrobenzenecarboxylic acid,2-fluoro-4-nitrobenzoicacid,2-fluoro-4-nitro-benzoic acid,4-carboxy-3-fluoronitrobenzene,benzoic acid, 2-fluoro-4-nitro,pubchem1310,acmc-1cts9,2-fluoro4-nitrobenzoic acid,2-fluor-4-nitro-benzoesaure
InChI Key	MMWFMFZFCKADEL-UHFFFAOYSA-N
Molecular Formula	C7H4FNO4

9,174

1,2-Dihydroxyindan 98.0+%, TCI America™

CAS: 4370-02-9 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 InChI Key: YKXXBEOXRPZVCC-UHFFFAOYNA-N Synonym: 1,2-Indandiol PubChem CID: 521197 IUPAC Name: 2,3-dihydro-1H-indene-1,2-diol SMILES: C1C(C(C2=CC=CC=C21)O)O

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Specifications

PubChem CID	521197
CAS	4370-02-9
Molecular Weight (g/mol)	150.18
SMILES	C1C(C(C2=CC=CC=C21)O)O
Synonym	1,2-Indandiol
IUPAC Name	2,3-dihydro-1H-indene-1,2-diol
InChI Key	YKXXBEOXRPZVCC-UHFFFAOYNA-N
Molecular Formula	C9H10O2

9,175

1-Hydroxyindan 99.0+%, TCI America™

CAS: 10-6-6351 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00003797 InChI Key: YIAPLDFPUUJILH-UHFFFAOYNA-N Synonym: 1-indanol,indanol,indan-1-ol,1-hydroxyhydrindene,1h-inden-1-ol, 2,3-dihydro,1h-indenol, 2,3-dihydro,1-hydroxyindan,1-hydroxyindane,1-indanole,--indanol PubChem CID: 22819 ChEBI: CHEBI:16697 IUPAC Name: 2,3-dihydro-1H-inden-1-ol SMILES: C1CC2=CC=CC=C2C1O

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Specifications

PubChem CID	22819
CAS	10-6-6351
Molecular Weight (g/mol)	134.18
ChEBI	CHEBI:16697
MDL Number	MFCD00003797
SMILES	C1CC2=CC=CC=C2C1O
Synonym	1-indanol,indanol,indan-1-ol,1-hydroxyhydrindene,1h-inden-1-ol, 2,3-dihydro,1h-indenol, 2,3-dihydro,1-hydroxyindan,1-hydroxyindane,1-indanole,--indanol
IUPAC Name	2,3-dihydro-1H-inden-1-ol
InChI Key	YIAPLDFPUUJILH-UHFFFAOYNA-N
Molecular Formula	C9H10O

9,176

5-Aminoindan 98.0+%, TCI America™

CAS: 24425-40-9 Molecular Formula: C9H11N Molecular Weight (g/mol): 133.194 MDL Number: MFCD00003803 InChI Key: LEWZOBYWGWKNCK-UHFFFAOYSA-N Synonym: 5-aminoindan,indan-5-amine,indan-5-ylamine,5-indanamine,5-aminohydrindene,5-aminoindane,indane-5-ylamine,1h-inden-5-amine, 2,3-dihydro,2,3-dihydro-1h-inden-5-ylamine,6-aminoindane PubChem CID: 90496 IUPAC Name: 2,3-dihydro-1H-inden-5-amine SMILES: C1CC2=C(C1)C=C(C=C2)N

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Specifications

PubChem CID	90496
CAS	24425-40-9
Molecular Weight (g/mol)	133.194
MDL Number	MFCD00003803
SMILES	C1CC2=C(C1)C=C(C=C2)N
Synonym	5-aminoindan,indan-5-amine,indan-5-ylamine,5-indanamine,5-aminohydrindene,5-aminoindane,indane-5-ylamine,1h-inden-5-amine, 2,3-dihydro,2,3-dihydro-1h-inden-5-ylamine,6-aminoindane
IUPAC Name	2,3-dihydro-1H-inden-5-amine
InChI Key	LEWZOBYWGWKNCK-UHFFFAOYSA-N
Molecular Formula	C9H11N

9,177

(+)-2,2'-Methylenebis[(3aR,8aS)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole] 98.0+%, TCI America™

CAS: 180186-94-1 Molecular Formula: C21H18N2O2 Molecular Weight (g/mol): 330.39 MDL Number: MFCD06797115 InChI Key: BDHSVQLSNIGJNC-UHFFFAOYNA-N PubChem CID: 1268099 IUPAC Name: 2-({3aH,8H,8aH-indeno[1,2-d][1,3]oxazol-2-yl}methyl)-3aH,8H,8aH-indeno[1,2-d][1,3]oxazole SMILES: C(C1=NC2C(CC3=CC=CC=C23)O1)C1=NC2C(CC3=CC=CC=C23)O1

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Specifications

PubChem CID	1268099
CAS	180186-94-1
Molecular Weight (g/mol)	330.39
MDL Number	MFCD06797115
SMILES	C(C1=NC2C(CC3=CC=CC=C23)O1)C1=NC2C(CC3=CC=CC=C23)O1
IUPAC Name	2-({3aH,8H,8aH-indeno[1,2-d][1,3]oxazol-2-yl}methyl)-3aH,8H,8aH-indeno[1,2-d][1,3]oxazole
InChI Key	BDHSVQLSNIGJNC-UHFFFAOYNA-N
Molecular Formula	C21H18N2O2

9,178

4-Bromo-1,1,3,3,5,5,7,7-octaethyl-1,2,3,5,6,7-hexahydro-s-indacene 95.0+%, TCI America™

CAS: 960079-28-1 Molecular Formula: C28H45Br Molecular Weight (g/mol): 461.572 InChI Key: SNWPVKQFJCNSIU-UHFFFAOYSA-N Synonym: Eind-Br PubChem CID: 91972074 IUPAC Name: 4-bromo-1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacene SMILES: CCC1(CC(C2=C(C3=C(C=C21)C(CC3(CC)CC)(CC)CC)Br)(CC)CC)CC

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Specifications

PubChem CID	91972074
CAS	960079-28-1
Molecular Weight (g/mol)	461.572
SMILES	CCC1(CC(C2=C(C3=C(C=C21)C(CC3(CC)CC)(CC)CC)Br)(CC)CC)CC
Synonym	Eind-Br
IUPAC Name	4-bromo-1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacene
InChI Key	SNWPVKQFJCNSIU-UHFFFAOYSA-N
Molecular Formula	C28H45Br

9,179

(1R,2S)-(+)-1-Amino-2-indanol 98.0+%, TCI America™

CAS: 136030-00-7 Molecular Formula: C9H12NO Molecular Weight (g/mol): 150.20 MDL Number: MFCD00216656,MFCD01318239 InChI Key: LOPKSXMQWBYUOI-DTWKUNHWSA-O Synonym: 1r,2s-1-amino-2-indanol,1r,2s-1-amino-2,3-dihydro-1h-inden-2-ol,cis-1-amino-2-indanol,1r,2s-+-cis-1-amino-2-indanol,cis-1-amino-2,3-dihydro-1h-inden-2-ol,1r,2s-+-1-amino-2-hydroxyindan,1r,2s-1-amino-2-hydroxyindane,1r,2s-+-1-amino-2-indanol,1r,2s-+-cis-1-aminoindan-2-ol,1r,2s-cis-1-amino-2-indanol PubChem CID: 2725045 IUPAC Name: (1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-aminium SMILES: [NH3+][C@H]1[C@@H](O)CC2=CC=CC=C12

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Specifications

PubChem CID	2725045
CAS	136030-00-7
Molecular Weight (g/mol)	150.20
MDL Number	MFCD00216656,MFCD01318239
SMILES	[NH3+][C@H]1[C@@H](O)CC2=CC=CC=C12
Synonym	1r,2s-1-amino-2-indanol,1r,2s-1-amino-2,3-dihydro-1h-inden-2-ol,cis-1-amino-2-indanol,1r,2s-+-cis-1-amino-2-indanol,cis-1-amino-2,3-dihydro-1h-inden-2-ol,1r,2s-+-1-amino-2-hydroxyindan,1r,2s-1-amino-2-hydroxyindane,1r,2s-+-1-amino-2-indanol,1r,2s-+-cis-1-aminoindan-2-ol,1r,2s-cis-1-amino-2-indanol
IUPAC Name	(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-aminium
InChI Key	LOPKSXMQWBYUOI-DTWKUNHWSA-O
Molecular Formula	C9H12NO

9,180

5-Hydroxyindan 99.0+%, TCI America™

CAS: 1470-94-6 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00003802 InChI Key: PEHSSTUGJUBZBI-UHFFFAOYSA-N Synonym: 5-indanol,indan-5-ol,5-hydroxyindan,5-hydroxyhydrindene,5-hydroxyindane,1h-inden-5-ol, 2,3-dihydro,indanol-5,unii-9z94h6f15t,5-indano PubChem CID: 15118 ChEBI: CHEBI:59311 IUPAC Name: 2,3-dihydro-1H-inden-5-ol SMILES: OC1=CC=C2CCCC2=C1

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Specifications

PubChem CID	15118
CAS	1470-94-6
Molecular Weight (g/mol)	134.18
ChEBI	CHEBI:59311
MDL Number	MFCD00003802
SMILES	OC1=CC=C2CCCC2=C1
Synonym	5-indanol,indan-5-ol,5-hydroxyindan,5-hydroxyhydrindene,5-hydroxyindane,1h-inden-5-ol, 2,3-dihydro,indanol-5,unii-9z94h6f15t,5-indano
IUPAC Name	2,3-dihydro-1H-inden-5-ol
InChI Key	PEHSSTUGJUBZBI-UHFFFAOYSA-N
Molecular Formula	C9H10O

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