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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 (67,624)
Phenols (13,427)
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)
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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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1,291 – 1,305 of 78,442 results
1,291

3-Fluorophthalic acid, 97%

CAS: 1583-67-1 Molecular Formula: C8H5FO4 Molecular Weight (g/mol): 184.122 MDL Number: MFCD00039524 InChI Key: BBCQSMSCEJBIRD-UHFFFAOYSA-N Synonym: 3-fluorobenzene-1,2-dicarboxylic acid,3-fluoro-1,2-benzenedicarboxylic acid,1,2-benzenedicarboxylic acid, 3-fluoro,1,2-benzenedicarboxylic acid, fluoro,3-fluorophthalic,3-fluorophtalic acid,3-fluorophthatic acid,pubchem1405,3-fluorophthalicacid PubChem CID: 345381 IUPAC Name: 3-fluorophthalic acid SMILES: C1=CC(=C(C(=C1)F)C(=O)O)C(=O)O

PubChem CID 345381
CAS 1583-67-1
Molecular Weight (g/mol) 184.122
MDL Number MFCD00039524
SMILES C1=CC(=C(C(=C1)F)C(=O)O)C(=O)O
Synonym 3-fluorobenzene-1,2-dicarboxylic acid,3-fluoro-1,2-benzenedicarboxylic acid,1,2-benzenedicarboxylic acid, 3-fluoro,1,2-benzenedicarboxylic acid, fluoro,3-fluorophthalic,3-fluorophtalic acid,3-fluorophthatic acid,pubchem1405,3-fluorophthalicacid
IUPAC Name 3-fluorophthalic acid
InChI Key BBCQSMSCEJBIRD-UHFFFAOYSA-N
Molecular Formula C8H5FO4
1,292

Diflunisal, Thermo Scientific Chemicals

CAS: 22494-42-4 Molecular Formula: C13H8F2O3 Molecular Weight (g/mol): 250.20 MDL Number: MFCD00057834 InChI Key: HUPFGZXOMWLGNK-UHFFFAOYSA-N Synonym: diflunisal,dolobid,dolobis,fluniget,flovacil,fluodonil,adomal,flustar,5-2,4-difluorophenyl salicylic acid,diflunisalum PubChem CID: 3059 ChEBI: CHEBI:39669 IUPAC Name: 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid SMILES: OC(=O)C1=CC(=CC=C1O)C1=CC=C(F)C=C1F

PubChem CID 3059
CAS 22494-42-4
Molecular Weight (g/mol) 250.20
ChEBI CHEBI:39669
MDL Number MFCD00057834
SMILES OC(=O)C1=CC(=CC=C1O)C1=CC=C(F)C=C1F
Synonym diflunisal,dolobid,dolobis,fluniget,flovacil,fluodonil,adomal,flustar,5-2,4-difluorophenyl salicylic acid,diflunisalum
IUPAC Name 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid
InChI Key HUPFGZXOMWLGNK-UHFFFAOYSA-N
Molecular Formula C13H8F2O3
1,293

3-Ethoxy-2,4-difluorobenzoic acid, 97%

CAS: 1017779-88-2 Molecular Formula: C9H8F2O3 Molecular Weight (g/mol): 202.157 MDL Number: MFCD09258723 InChI Key: KUOUFQUWQYELBO-UHFFFAOYSA-N Synonym: 3-ethoxy-2,4-difluorobenzoic acid, jrd PubChem CID: 46737640 IUPAC Name: 3-ethoxy-2,4-difluorobenzoic acid SMILES: CCOC1=C(C=CC(=C1F)C(=O)O)F

PubChem CID 46737640
CAS 1017779-88-2
Molecular Weight (g/mol) 202.157
MDL Number MFCD09258723
SMILES CCOC1=C(C=CC(=C1F)C(=O)O)F
Synonym 3-ethoxy-2,4-difluorobenzoic acid, jrd
IUPAC Name 3-ethoxy-2,4-difluorobenzoic acid
InChI Key KUOUFQUWQYELBO-UHFFFAOYSA-N
Molecular Formula C9H8F2O3
1,294

4-Bromobenzoic acid, 97%

CAS: 586-76-5 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.02 MDL Number: MFCD00002529 InChI Key: TUXYZHVUPGXXQG-UHFFFAOYSA-N Synonym: p-bromobenzoic acid,benzoic acid, 4-bromo,p-carboxybromobenzene,benzoic acid, p-bromo,p-bromobenzenecarboxylic acid,4-bromo-benzoic acid,4-brom-benzoesaeure,4-carboxybromobenzene,para bromo benzoic acid,4bromo-benzoic acid PubChem CID: 11464 ChEBI: CHEBI:60698 IUPAC Name: 4-bromobenzoic acid SMILES: OC(=O)C1=CC=C(Br)C=C1

PubChem CID 11464
CAS 586-76-5
Molecular Weight (g/mol) 201.02
ChEBI CHEBI:60698
MDL Number MFCD00002529
SMILES OC(=O)C1=CC=C(Br)C=C1
Synonym p-bromobenzoic acid,benzoic acid, 4-bromo,p-carboxybromobenzene,benzoic acid, p-bromo,p-bromobenzenecarboxylic acid,4-bromo-benzoic acid,4-brom-benzoesaeure,4-carboxybromobenzene,para bromo benzoic acid,4bromo-benzoic acid
IUPAC Name 4-bromobenzoic acid
InChI Key TUXYZHVUPGXXQG-UHFFFAOYSA-N
Molecular Formula C7H5BrO2
1,295

Methyl 3-iodo-4-methylbenzoate, 98%

CAS: 90347-66-3 Molecular Formula: C9H9IO2 Molecular Weight (g/mol): 276.073 MDL Number: MFCD00230583 InChI Key: NKMHAOTZPFVSPC-UHFFFAOYSA-N Synonym: 3-iodo-4-methylbenzoic acid methyl ester,methyl 3-iodo-p-toluate,methyl-3-iodo-4-methylbenzoate,methyl 3-iodo-4-methyl-benzoate,2-iodo-4-methoxycarbonyl toluene,benzoic acid, 3-iodo-4-methyl-, methyl ester,methyl3-iodo-4-methylbenzoate,3-iodo-4-methylbenzoic acidmethyl ester,methyl 3-iodo-4-meth,ksc495m1r PubChem CID: 13614033 IUPAC Name: methyl 3-iodo-4-methylbenzoate SMILES: CC1=C(C=C(C=C1)C(=O)OC)I

PubChem CID 13614033
CAS 90347-66-3
Molecular Weight (g/mol) 276.073
MDL Number MFCD00230583
SMILES CC1=C(C=C(C=C1)C(=O)OC)I
Synonym 3-iodo-4-methylbenzoic acid methyl ester,methyl 3-iodo-p-toluate,methyl-3-iodo-4-methylbenzoate,methyl 3-iodo-4-methyl-benzoate,2-iodo-4-methoxycarbonyl toluene,benzoic acid, 3-iodo-4-methyl-, methyl ester,methyl3-iodo-4-methylbenzoate,3-iodo-4-methylbenzoic acidmethyl ester,methyl 3-iodo-4-meth,ksc495m1r
IUPAC Name methyl 3-iodo-4-methylbenzoate
InChI Key NKMHAOTZPFVSPC-UHFFFAOYSA-N
Molecular Formula C9H9IO2
1,296

4-Bromo-3-fluorobenzoic acid, 98+%, Thermo Scientific Chemicals

CAS: 153556-42-4 Molecular Formula: C7H4BrFO2 Molecular Weight (g/mol): 219.009 MDL Number: MFCD00672932 InChI Key: RMYOGXPGIDWJLU-UHFFFAOYSA-N Synonym: 3-fluoro-4-bromobenzoic acid,benzoic acid, 4-bromo-3-fluoro,3-fluoro-4-bromo benzoic acid,4-bromo-3-fluoro-benzoic acid,pubchem1316,intermediates-zcf02169,acmc-1c1h6,ksc497g7p,4-bromo-3-fluoro benzoic acid PubChem CID: 2773341 IUPAC Name: 4-bromo-3-fluorobenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)F)Br

PubChem CID 2773341
CAS 153556-42-4
Molecular Weight (g/mol) 219.009
MDL Number MFCD00672932
SMILES C1=CC(=C(C=C1C(=O)O)F)Br
Synonym 3-fluoro-4-bromobenzoic acid,benzoic acid, 4-bromo-3-fluoro,3-fluoro-4-bromo benzoic acid,4-bromo-3-fluoro-benzoic acid,pubchem1316,intermediates-zcf02169,acmc-1c1h6,ksc497g7p,4-bromo-3-fluoro benzoic acid
IUPAC Name 4-bromo-3-fluorobenzoic acid
InChI Key RMYOGXPGIDWJLU-UHFFFAOYSA-N
Molecular Formula C7H4BrFO2
1,297

Methyl 4-chlorobenzoate, 99%

CAS: 1126-46-1 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.59 MDL Number: MFCD00000621 InChI Key: LXNFVVDCCWUUKC-UHFFFAOYSA-N Synonym: methyl p-chlorobenzoate,4-chlorobenzoic acid methyl ester,benzoic acid, 4-chloro-, methyl ester,unii-m0u80j80va,benzoic acid, p-chloro-, methyl ester,methyl-p-chlorobenzoate,p-chlorobenzoic acid methyl ester,methyl-4-chlorobenzoate,4-chloro-benzoic acid methyl ester,decitabine related compound d PubChem CID: 14307 IUPAC Name: methyl 4-chlorobenzoate SMILES: COC(=O)C1=CC=C(Cl)C=C1

PubChem CID 14307
CAS 1126-46-1
Molecular Weight (g/mol) 170.59
MDL Number MFCD00000621
SMILES COC(=O)C1=CC=C(Cl)C=C1
Synonym methyl p-chlorobenzoate,4-chlorobenzoic acid methyl ester,benzoic acid, 4-chloro-, methyl ester,unii-m0u80j80va,benzoic acid, p-chloro-, methyl ester,methyl-p-chlorobenzoate,p-chlorobenzoic acid methyl ester,methyl-4-chlorobenzoate,4-chloro-benzoic acid methyl ester,decitabine related compound d
IUPAC Name methyl 4-chlorobenzoate
InChI Key LXNFVVDCCWUUKC-UHFFFAOYSA-N
Molecular Formula C8H7ClO2
1,298

4-chlorosalicylic acid, 98%

CAS: 5106-98-9 Molecular Formula: C7H5ClO3 Molecular Weight (g/mol): 172.56 MDL Number: MFCD00002449 InChI Key: LWXFCZXRFBUOOR-UHFFFAOYSA-N Synonym: 4-chlorosalicylic acid,4-chloro salicylic acid,benzoic acid, 4-chloro-2-hydroxy,2-hydroxy-4-chlorobenzoic acid,4-chloro-2-hydroxy benzoic acid,4-chloro-2-hydroxy-benzoic acid,salicylic acid, 4-chloro,4-chlorosalicylicacid,pubchem3845,4-chloro-salicylic acid PubChem CID: 78782 IUPAC Name: 4-chloro-2-hydroxybenzoic acid SMILES: OC(=O)C1=CC=C(Cl)C=C1O

PubChem CID 78782
CAS 5106-98-9
Molecular Weight (g/mol) 172.56
MDL Number MFCD00002449
SMILES OC(=O)C1=CC=C(Cl)C=C1O
Synonym 4-chlorosalicylic acid,4-chloro salicylic acid,benzoic acid, 4-chloro-2-hydroxy,2-hydroxy-4-chlorobenzoic acid,4-chloro-2-hydroxy benzoic acid,4-chloro-2-hydroxy-benzoic acid,salicylic acid, 4-chloro,4-chlorosalicylicacid,pubchem3845,4-chloro-salicylic acid
IUPAC Name 4-chloro-2-hydroxybenzoic acid
InChI Key LWXFCZXRFBUOOR-UHFFFAOYSA-N
Molecular Formula C7H5ClO3
1,299

3-Bromo-4-chlorobenzoic acid, 97%

CAS: 42860-10-6 Molecular Formula: C7H4BrClO2 Molecular Weight (g/mol): 235.46 MDL Number: MFCD00079706 InChI Key: NLEPZGNUPNMRGF-UHFFFAOYSA-N Synonym: 3-bromo-4-chloro-benzoic acid,benzoic acid, 3-bromo-4-chloro,4-chloro-3-bromobenzoic acid,pubchem3585,acmc-1cufe,3-bromo-4-chlorobenzoicacid,ksc235m9l,timtec-bb sbb017622,zerenex e/9071912 PubChem CID: 2735544 IUPAC Name: 3-bromo-4-chlorobenzoic acid SMILES: OC(=O)C1=CC(Br)=C(Cl)C=C1

PubChem CID 2735544
CAS 42860-10-6
Molecular Weight (g/mol) 235.46
MDL Number MFCD00079706
SMILES OC(=O)C1=CC(Br)=C(Cl)C=C1
Synonym 3-bromo-4-chloro-benzoic acid,benzoic acid, 3-bromo-4-chloro,4-chloro-3-bromobenzoic acid,pubchem3585,acmc-1cufe,3-bromo-4-chlorobenzoicacid,ksc235m9l,timtec-bb sbb017622,zerenex e/9071912
IUPAC Name 3-bromo-4-chlorobenzoic acid
InChI Key NLEPZGNUPNMRGF-UHFFFAOYSA-N
Molecular Formula C7H4BrClO2
1,300

6-Methoxysalicylic acid, 98%, Thermo Scientific™

CAS: 3147-64-6 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 InChI Key: AAUQLHHARJUJEH-UHFFFAOYSA-N Synonym: 6-methoxysalicylic acid,6-hydroxy-o-anisic acid,benzoic acid, 2-hydroxy-6-methoxy,6-methoxysalicylicacid,6-methoxysalicylsaure,pubchem18380,acmc-1cldg,6-methoxy-salicylic acid,2-carboxy-3-methoxyphenol,2-carboxy-3-hydroxyanisole PubChem CID: 591524 IUPAC Name: 2-hydroxy-6-methoxybenzoic acid SMILES: COC1=CC=CC(=C1C(=O)O)O

PubChem CID 591524
CAS 3147-64-6
Molecular Weight (g/mol) 168.15
SMILES COC1=CC=CC(=C1C(=O)O)O
Synonym 6-methoxysalicylic acid,6-hydroxy-o-anisic acid,benzoic acid, 2-hydroxy-6-methoxy,6-methoxysalicylicacid,6-methoxysalicylsaure,pubchem18380,acmc-1cldg,6-methoxy-salicylic acid,2-carboxy-3-methoxyphenol,2-carboxy-3-hydroxyanisole
IUPAC Name 2-hydroxy-6-methoxybenzoic acid
InChI Key AAUQLHHARJUJEH-UHFFFAOYSA-N
Molecular Formula C8H8O4
1,301

2,6-Difluorobenzoyl chloride, 98%

CAS: 18063-02-0 Molecular Formula: C7H3ClF2O Molecular Weight (g/mol): 176.547 MDL Number: MFCD00000659 InChI Key: QRHUZEVERIHEPT-UHFFFAOYSA-N Synonym: 2,6-difluorobenzoylchloride,benzoyl chloride, 2,6-difluoro,2,6-difluoro-benzoyl chloride,acmc-1ca8w,2,6-diflurobenzoyl chloride,2 6-difluorobenzoyl chloride,2,6-diflourobenzoyl chloride,2,6-difluoro benzoylchloride,2.6-difluorobenzoyl chloride,2,6-difluro-benzoyl chloride PubChem CID: 87438 IUPAC Name: 2,6-difluorobenzoyl chloride SMILES: C1=CC(=C(C(=C1)F)C(=O)Cl)F

PubChem CID 87438
CAS 18063-02-0
Molecular Weight (g/mol) 176.547
MDL Number MFCD00000659
SMILES C1=CC(=C(C(=C1)F)C(=O)Cl)F
Synonym 2,6-difluorobenzoylchloride,benzoyl chloride, 2,6-difluoro,2,6-difluoro-benzoyl chloride,acmc-1ca8w,2,6-diflurobenzoyl chloride,2 6-difluorobenzoyl chloride,2,6-diflourobenzoyl chloride,2,6-difluoro benzoylchloride,2.6-difluorobenzoyl chloride,2,6-difluro-benzoyl chloride
IUPAC Name 2,6-difluorobenzoyl chloride
InChI Key QRHUZEVERIHEPT-UHFFFAOYSA-N
Molecular Formula C7H3ClF2O
1,302

Ethyl 4-bromobenzoate, 98+%

CAS: 5798-75-4 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00016329 InChI Key: XZIAFENWXIQIKR-UHFFFAOYSA-N Synonym: 4-bromobenzoic acid ethyl ester,ethyl p-bromobenzoate,benzoic acid, 4-bromo-, ethyl ester,ethyl4-bromobenzoate,ethyl-4-bromobenzoate,p-ethoxycarbonyl phenyl bromide,benzoic acid, p-bromo-, ethyl ester,4-bromo-benzoic acid ethyl ester,4-bromobenzoic acid, ethyl ester,ethyl-p-bromobenzoate PubChem CID: 22043 IUPAC Name: ethyl 4-bromobenzoate SMILES: CCOC(=O)C1=CC=C(Br)C=C1

PubChem CID 22043
CAS 5798-75-4
Molecular Weight (g/mol) 229.07
MDL Number MFCD00016329
SMILES CCOC(=O)C1=CC=C(Br)C=C1
Synonym 4-bromobenzoic acid ethyl ester,ethyl p-bromobenzoate,benzoic acid, 4-bromo-, ethyl ester,ethyl4-bromobenzoate,ethyl-4-bromobenzoate,p-ethoxycarbonyl phenyl bromide,benzoic acid, p-bromo-, ethyl ester,4-bromo-benzoic acid ethyl ester,4-bromobenzoic acid, ethyl ester,ethyl-p-bromobenzoate
IUPAC Name ethyl 4-bromobenzoate
InChI Key XZIAFENWXIQIKR-UHFFFAOYSA-N
Molecular Formula C9H9BrO2
1,303

2-Fluoro-3-methylbenzoic acid, 98%

CAS: 315-31-1 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00042504 InChI Key: DGNAETGARNTCIL-UHFFFAOYSA-N Synonym: 2-fluoro-m-toluic acid,2-fluoro-3-methylbenzoicacid,benzoic acid, 2-fluoro-3-methyl,2-fluoro-3-methyl-benzoic acid,maybridge1_003142,pubchem1328,fluoro-3-methylbenzoic acid,ksc222a8b,3-methyl-2-fluorobenzoic acid,2-fluoro-3-methyl benzoic acid PubChem CID: 2737379 IUPAC Name: 2-fluoro-3-methylbenzoic acid SMILES: CC1=CC=CC(C(O)=O)=C1F

PubChem CID 2737379
CAS 315-31-1
Molecular Weight (g/mol) 154.14
MDL Number MFCD00042504
SMILES CC1=CC=CC(C(O)=O)=C1F
Synonym 2-fluoro-m-toluic acid,2-fluoro-3-methylbenzoicacid,benzoic acid, 2-fluoro-3-methyl,2-fluoro-3-methyl-benzoic acid,maybridge1_003142,pubchem1328,fluoro-3-methylbenzoic acid,ksc222a8b,3-methyl-2-fluorobenzoic acid,2-fluoro-3-methyl benzoic acid
IUPAC Name 2-fluoro-3-methylbenzoic acid
InChI Key DGNAETGARNTCIL-UHFFFAOYSA-N
Molecular Formula C8H7FO2
1,304

2-Chloro-4-(methylsulfonyl)benzoic acid, 95%, Thermo Scientific™

CAS: 53250-83-2 Molecular Formula: C8H6ClO4S Molecular Weight (g/mol): 233.64 MDL Number: MFCD00216496 InChI Key: CTTWSFIIFMWHLQ-UHFFFAOYSA-M Synonym: 2-chloro-4-methylsulfonyl benzoic acid,2-chloro-4-methylsulphonylbenzoic acid,2-chloro-4-methanesulfonylbenzoic acid,benzoic acid, 2-chloro-4-methylsulfonyl,2-chloro-4-methanesulfonyl-benzoic acid,2-chloro-4-methylsulfonyl benzoic acid dry basis,maybridge1_004133,cmba,pubchem20281,acmc-1aupa PubChem CID: 735863 IUPAC Name: 2-chloro-4-methylsulfonylbenzoic acid SMILES: CS(=O)(=O)C1=CC=C(C([O-])=O)C(Cl)=C1

PubChem CID 735863
CAS 53250-83-2
Molecular Weight (g/mol) 233.64
MDL Number MFCD00216496
SMILES CS(=O)(=O)C1=CC=C(C([O-])=O)C(Cl)=C1
Synonym 2-chloro-4-methylsulfonyl benzoic acid,2-chloro-4-methylsulphonylbenzoic acid,2-chloro-4-methanesulfonylbenzoic acid,benzoic acid, 2-chloro-4-methylsulfonyl,2-chloro-4-methanesulfonyl-benzoic acid,2-chloro-4-methylsulfonyl benzoic acid dry basis,maybridge1_004133,cmba,pubchem20281,acmc-1aupa
IUPAC Name 2-chloro-4-methylsulfonylbenzoic acid
InChI Key CTTWSFIIFMWHLQ-UHFFFAOYSA-M
Molecular Formula C8H6ClO4S
1,305

4-Bromo-2-fluorobenzoyl chloride, 98%

CAS: 151982-51-3 Molecular Formula: C7H3BrClFO Molecular Weight (g/mol): 237.452 MDL Number: MFCD03411584 InChI Key: PCFIABOQFAFDAU-UHFFFAOYSA-N PubChem CID: 2734026 IUPAC Name: 4-bromo-2-fluorobenzoyl chloride SMILES: C1=CC(=C(C=C1Br)F)C(=O)Cl

PubChem CID 2734026
CAS 151982-51-3
Molecular Weight (g/mol) 237.452
MDL Number MFCD03411584
SMILES C1=CC(=C(C=C1Br)F)C(=O)Cl
IUPAC Name 4-bromo-2-fluorobenzoyl chloride
InChI Key PCFIABOQFAFDAU-UHFFFAOYSA-N
Molecular Formula C7H3BrClFO