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.

5,521 – 5,535 of 73,799 results

5,521

4-Amino-2-chlorobenzoic acid, 97%

CAS: 2457-76-3 Molecular Formula: C₇H₆ClNO₂ Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007772 InChI Key: MBDUKNCPOPMRJQ-UHFFFAOYSA-N Synonym: 2-chloro-4-aminobenzoic acid,benzoic acid, 4-amino-2-chloro,o-chloro-p-aminobenzoic acid,2-chloro-p-aminobenzoic acid,usaf nb-1,4-amino-2-chloro-benzoic acid,4-amino-2-chlorobenzoicacid,unii-y3s6924ia6,wln: zr cg dvq,pubchem3109 PubChem CID: 17154 ChEBI: CHEBI:59472 IUPAC Name: 4-amino-2-chlorobenzoic acid SMILES: C1=CC(=C(C=C1N)Cl)C(=O)O

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Specifications

PubChem CID	17154
CAS	2457-76-3
Molecular Weight (g/mol)	171.58
ChEBI	CHEBI:59472
MDL Number	MFCD00007772
SMILES	C1=CC(=C(C=C1N)Cl)C(=O)O
Synonym	2-chloro-4-aminobenzoic acid,benzoic acid, 4-amino-2-chloro,o-chloro-p-aminobenzoic acid,2-chloro-p-aminobenzoic acid,usaf nb-1,4-amino-2-chloro-benzoic acid,4-amino-2-chlorobenzoicacid,unii-y3s6924ia6,wln: zr cg dvq,pubchem3109
IUPAC Name	4-amino-2-chlorobenzoic acid
InChI Key	MBDUKNCPOPMRJQ-UHFFFAOYSA-N
Molecular Formula	C₇H₆ClNO₂

5,522

4-Chlorobenzhydryl chloride, 97%

CAS: 134-83-8 Molecular Formula: C13H10Cl2 Molecular Weight (g/mol): 237.123 MDL Number: MFCD00000856 InChI Key: ALKWTKGPKKAZMN-UHFFFAOYSA-N Synonym: 4-chlorobenzhydryl chloride,4-chlorobenzhydrylchloride,p-chlorobenzhydryl chloride,1-chloro-4-chloro phenyl methyl benzene,benzene, 1-chloro-4-chlorophenylmethyl,chloro 4-chlorophenyl phenylmethane,chloro p-chlorophenyl phenylmethane,methane, chloro p-chlorophenyl phenyl,1-chloro-4-chlorophenylmethyl benzene PubChem CID: 241584 IUPAC Name: 1-chloro-4-[chloro(phenyl)methyl]benzene SMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)Cl

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Specifications

PubChem CID	241584
CAS	134-83-8
Molecular Weight (g/mol)	237.123
MDL Number	MFCD00000856
SMILES	C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)Cl
Synonym	4-chlorobenzhydryl chloride,4-chlorobenzhydrylchloride,p-chlorobenzhydryl chloride,1-chloro-4-chloro phenyl methyl benzene,benzene, 1-chloro-4-chlorophenylmethyl,chloro 4-chlorophenyl phenylmethane,chloro p-chlorophenyl phenylmethane,methane, chloro p-chlorophenyl phenyl,1-chloro-4-chlorophenylmethyl benzene
IUPAC Name	1-chloro-4-[chloro(phenyl)methyl]benzene
InChI Key	ALKWTKGPKKAZMN-UHFFFAOYSA-N
Molecular Formula	C13H10Cl2

5,523

1-Bromo-4-isopropylbenzene, 97%

CAS: 586-61-8 Molecular Formula: C9H11Br Molecular Weight (g/mol): 199.09 MDL Number: MFCD00039159 InChI Key: MOZHUOIQYVYEPN-UHFFFAOYSA-N Synonym: 1-bromo-4-isopropylbenzene,4-bromocumene,4-bromoisopropylbenzene,p-bromocumene,4-isopropylbromobenzene,benzene, 1-bromo-4-1-methylethyl,p-bromoisopropylbenzene,2-p-bromophenyl propane,cumene, p-bromo,2-4-bromophenyl propane PubChem CID: 11462 IUPAC Name: 1-bromo-4-propan-2-ylbenzene SMILES: CC(C)C1=CC=C(Br)C=C1

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Specifications

PubChem CID	11462
CAS	586-61-8
Molecular Weight (g/mol)	199.09
MDL Number	MFCD00039159
SMILES	CC(C)C1=CC=C(Br)C=C1
Synonym	1-bromo-4-isopropylbenzene,4-bromocumene,4-bromoisopropylbenzene,p-bromocumene,4-isopropylbromobenzene,benzene, 1-bromo-4-1-methylethyl,p-bromoisopropylbenzene,2-p-bromophenyl propane,cumene, p-bromo,2-4-bromophenyl propane
IUPAC Name	1-bromo-4-propan-2-ylbenzene
InChI Key	MOZHUOIQYVYEPN-UHFFFAOYSA-N
Molecular Formula	C9H11Br

5,524

N-Acetyl-N'-phenylhydrazine, 98%

CAS: 114-83-0 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.181 MDL Number: MFCD00008672 InChI Key: UICBCXONCUFSOI-UHFFFAOYSA-N Synonym: 1-acetyl-2-phenylhydrazine,hydracetin,acetylphenylhydrazine,pyrodin,pyrodine,acetic acid, 2-phenylhydrazide,n-acetyl-n'-phenylhydrazine,n'-phenylacethydrazide,acetic acid phenylhydrazone,n 1-acetylphenylhydrazine PubChem CID: 8247 IUPAC Name: N'-phenylacetohydrazide SMILES: CC(=O)NNC1=CC=CC=C1

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Specifications

PubChem CID	8247
CAS	114-83-0
Molecular Weight (g/mol)	150.181
MDL Number	MFCD00008672
SMILES	CC(=O)NNC1=CC=CC=C1
Synonym	1-acetyl-2-phenylhydrazine,hydracetin,acetylphenylhydrazine,pyrodin,pyrodine,acetic acid, 2-phenylhydrazide,n-acetyl-n'-phenylhydrazine,n'-phenylacethydrazide,acetic acid phenylhydrazone,n 1-acetylphenylhydrazine
IUPAC Name	N'-phenylacetohydrazide
InChI Key	UICBCXONCUFSOI-UHFFFAOYSA-N
Molecular Formula	C8H10N2O

5,525

[4-(Tetrahydropyran-4-yloxy)phenyl]methanol, 97%, Thermo Scientific™

CAS: 892501-95-0 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.257 MDL Number: MFCD09064965 InChI Key: VFZJVDCLRTTYDL-UHFFFAOYSA-N Synonym: 4-tetrahydropyran-4-yloxy phenyl methanol,4-oxan-4-yloxy phenyl methanol,4-oxan-4-yl oxy phenyl methanol,4-tetrahydro-2h-pyran-4-yl oxy phenyl methanol,4-2h-3,4,5,6-tetrahydropyran-4-yloxy phenyl methan-1-ol PubChem CID: 24229523 IUPAC Name: [4-(oxan-4-yloxy)phenyl]methanol SMILES: C1COCCC1OC2=CC=C(C=C2)CO

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Specifications

PubChem CID	24229523
CAS	892501-95-0
Molecular Weight (g/mol)	208.257
MDL Number	MFCD09064965
SMILES	C1COCCC1OC2=CC=C(C=C2)CO
Synonym	4-tetrahydropyran-4-yloxy phenyl methanol,4-oxan-4-yloxy phenyl methanol,4-oxan-4-yl oxy phenyl methanol,4-tetrahydro-2h-pyran-4-yl oxy phenyl methanol,4-2h-3,4,5,6-tetrahydropyran-4-yloxy phenyl methan-1-ol
IUPAC Name	[4-(oxan-4-yloxy)phenyl]methanol
InChI Key	VFZJVDCLRTTYDL-UHFFFAOYSA-N
Molecular Formula	C12H16O3

5,526

(Formylmethylene)triphenylphosphorane, 97%, may cont. up to ca 3% water

CAS: 2136-75-6 Molecular Formula: C20H17OP Molecular Weight (g/mol): 304.329 MDL Number: MFCD00006994 InChI Key: CQCAYWAIRTVXIY-UHFFFAOYSA-N Synonym: 2-triphenylphosphoranylidene acetaldehyde,formylmethylene triphenylphosphorane,triphenylphosphoranylidene acetaldehyde,formylmethylenetriphenylphosphorane,acetaldehyde, triphenylphosphoranylidene,2-triphenyl-??-phosphanylidene acetaldehyde,acmc-209fjg,ksc492c5l PubChem CID: 75051 IUPAC Name: 2-(triphenyl-$l^{5}-phosphanylidene)acetaldehyde SMILES: C1=CC=C(C=C1)P(=CC=O)(C2=CC=CC=C2)C3=CC=CC=C3

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Specifications

PubChem CID	75051
CAS	2136-75-6
Molecular Weight (g/mol)	304.329
MDL Number	MFCD00006994
SMILES	C1=CC=C(C=C1)P(=CC=O)(C2=CC=CC=C2)C3=CC=CC=C3
Synonym	2-triphenylphosphoranylidene acetaldehyde,formylmethylene triphenylphosphorane,triphenylphosphoranylidene acetaldehyde,formylmethylenetriphenylphosphorane,acetaldehyde, triphenylphosphoranylidene,2-triphenyl-??-phosphanylidene acetaldehyde,acmc-209fjg,ksc492c5l
IUPAC Name	2-(triphenyl-$l^{5}-phosphanylidene)acetaldehyde
InChI Key	CQCAYWAIRTVXIY-UHFFFAOYSA-N
Molecular Formula	C20H17OP

5,527

4-Acetophenetidide, 97%

CAS: 62-44-2 Molecular Formula: C₁₀H₁₃NO₂ Molecular Weight (g/mol): 179.22 MDL Number: MFCD00009094 InChI Key: CPJSUEIXXCENMM-UHFFFAOYSA-N Synonym: phenacetin,acetophenetidin,n-4-ethoxyphenyl acetamide,acetphenetidin,acetophenetidine,acetophenetin,phenacetine,p-acetophenetidide,contradouleur,achrocidin PubChem CID: 4754 ChEBI: CHEBI:8050 IUPAC Name: N-(4-ethoxyphenyl)acetamide SMILES: CCOC1=CC=C(C=C1)NC(=O)C

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Specifications

PubChem CID	4754
CAS	62-44-2
Molecular Weight (g/mol)	179.22
ChEBI	CHEBI:8050
MDL Number	MFCD00009094
SMILES	CCOC1=CC=C(C=C1)NC(=O)C
Synonym	phenacetin,acetophenetidin,n-4-ethoxyphenyl acetamide,acetphenetidin,acetophenetidine,acetophenetin,phenacetine,p-acetophenetidide,contradouleur,achrocidin
IUPAC Name	N-(4-ethoxyphenyl)acetamide
InChI Key	CPJSUEIXXCENMM-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₃NO₂

5,528

Cinnamylideneacetophenone, 98+%

CAS: 614-57-3 Molecular Formula: C17H14O Molecular Weight (g/mol): 234.298 MDL Number: MFCD00020692 InChI Key: QONKLJMPKWQQFG-HPIZBCMHSA-N Synonym: cinnamylideneacetophenone,cinnamalacetophenone,5-phenyl-2,4-pentadienophenone,5-phenylpenta-2,4-dienophenone,2e,4e-1,5-diphenylpenta-2,4-dien-1-one,?,e-1,5-diphenyl-2,4-pentadien-1-one,2,4-pentadienophenone, 5-phenyl,2,4-pentadien-1-one, 1,5-diphenyl-, ?,e,1,5-diphenyl-2,4-pentadien-1-one,2,4-pentadien-1-one, 1,5-diphenyl PubChem CID: 1549519 IUPAC Name: (2E,4E)-1,5-diphenylpenta-2,4-dien-1-one SMILES: C1=CC=C(C=C1)C=CC=CC(=O)C2=CC=CC=C2

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Specifications

PubChem CID	1549519
CAS	614-57-3
Molecular Weight (g/mol)	234.298
MDL Number	MFCD00020692
SMILES	C1=CC=C(C=C1)C=CC=CC(=O)C2=CC=CC=C2
Synonym	cinnamylideneacetophenone,cinnamalacetophenone,5-phenyl-2,4-pentadienophenone,5-phenylpenta-2,4-dienophenone,2e,4e-1,5-diphenylpenta-2,4-dien-1-one,?,e-1,5-diphenyl-2,4-pentadien-1-one,2,4-pentadienophenone, 5-phenyl,2,4-pentadien-1-one, 1,5-diphenyl-, ?,e,1,5-diphenyl-2,4-pentadien-1-one,2,4-pentadien-1-one, 1,5-diphenyl
IUPAC Name	(2E,4E)-1,5-diphenylpenta-2,4-dien-1-one
InChI Key	QONKLJMPKWQQFG-HPIZBCMHSA-N
Molecular Formula	C17H14O

5,529

1-Bromo-2-fluoro-4-nitrobenzene, 98%

CAS: 185331-69-5 Molecular Formula: C6H3BrFNO2 Molecular Weight (g/mol): 220.00 MDL Number: MFCD05865088 InChI Key: AZYQMHQOHNGPRR-UHFFFAOYSA-N Synonym: 4-bromo-3-fluoronitrobenzene,3-fluoro-4-bromonitrobenzene,benzene, 1-bromo-2-fluoro-4-nitro,pubchem1045,acmc-1byt6,ksc495e5r,1-bromo-2-fluoro-4-nitro-benzene,4-bromo-3-fluoronitrobenzene; 3-fluoro-4-bromonitrobenzene PubChem CID: 2756994 IUPAC Name: 1-bromo-2-fluoro-4-nitrobenzene SMILES: [O-][N+](=O)C1=CC(F)=C(Br)C=C1

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Specifications

PubChem CID	2756994
CAS	185331-69-5
Molecular Weight (g/mol)	220.00
MDL Number	MFCD05865088
SMILES	[O-][N+](=O)C1=CC(F)=C(Br)C=C1
Synonym	4-bromo-3-fluoronitrobenzene,3-fluoro-4-bromonitrobenzene,benzene, 1-bromo-2-fluoro-4-nitro,pubchem1045,acmc-1byt6,ksc495e5r,1-bromo-2-fluoro-4-nitro-benzene,4-bromo-3-fluoronitrobenzene; 3-fluoro-4-bromonitrobenzene
IUPAC Name	1-bromo-2-fluoro-4-nitrobenzene
InChI Key	AZYQMHQOHNGPRR-UHFFFAOYSA-N
Molecular Formula	C6H3BrFNO2

5,530

Terephthalaldehyde, 98%

CAS: 623-27-8 Molecular Formula: C8H6O2 Molecular Weight (g/mol): 134.134 MDL Number: MFCD00006949 InChI Key: KUCOHFSKRZZVRO-UHFFFAOYSA-N Synonym: 1,4-benzenedicarboxaldehyde,p-phthalaldehyde,terephthaldehyde,terephthaldialdehyde,terephthaladehyde,terephthaldicarboxaldehyde,terephthalic aldehyde,1,4-phthalaldehyde,p-formylbenzaldehyde,terephtaldehyde PubChem CID: 12173 IUPAC Name: terephthalaldehyde SMILES: C1=CC(=CC=C1C=O)C=O

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Specifications

PubChem CID	12173
CAS	623-27-8
Molecular Weight (g/mol)	134.134
MDL Number	MFCD00006949
SMILES	C1=CC(=CC=C1C=O)C=O
Synonym	1,4-benzenedicarboxaldehyde,p-phthalaldehyde,terephthaldehyde,terephthaldialdehyde,terephthaladehyde,terephthaldicarboxaldehyde,terephthalic aldehyde,1,4-phthalaldehyde,p-formylbenzaldehyde,terephtaldehyde
IUPAC Name	terephthalaldehyde
InChI Key	KUCOHFSKRZZVRO-UHFFFAOYSA-N
Molecular Formula	C8H6O2

5,531

2-Methoxybenzonitrile, 98%

CAS: 6609-56-9 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00001783 InChI Key: FSTPMFASNVISBU-UHFFFAOYSA-N Synonym: 2-cyanoanisole,o-methoxybenzonitrile,2-methoxy-benzonitrile,benzonitrile, 2-methoxy,2-methoxybenzenecarbonitrile,o-anisolnitrile,o-anisonitrile,methoxybenzonitrile,2-methxybenzonitrile,o-methyoxybenzonitrile PubChem CID: 81086 IUPAC Name: 2-methoxybenzonitrile SMILES: COC1=CC=CC=C1C#N

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Specifications

PubChem CID	81086
CAS	6609-56-9
Molecular Weight (g/mol)	133.15
MDL Number	MFCD00001783
SMILES	COC1=CC=CC=C1C#N
Synonym	2-cyanoanisole,o-methoxybenzonitrile,2-methoxy-benzonitrile,benzonitrile, 2-methoxy,2-methoxybenzenecarbonitrile,o-anisolnitrile,o-anisonitrile,methoxybenzonitrile,2-methxybenzonitrile,o-methyoxybenzonitrile
IUPAC Name	2-methoxybenzonitrile
InChI Key	FSTPMFASNVISBU-UHFFFAOYSA-N
Molecular Formula	C8H7NO

5,532

4-Bromo-2-fluoro-5-(trifluoromethyl)aniline, 97%

CAS: 104460-70-0 Molecular Formula: C7H4BrF4N Molecular Weight (g/mol): 258.01 MDL Number: MFCD04973757 InChI Key: UYVDMCXPDGRLEC-UHFFFAOYSA-N Synonym: 4-bromo-2-fluoro-5-trifluoromethyl aniline,benzenamine, 4-bromo-2-fluoro-5-trifluoromethyl,benzenamine,4-bromo-2-fluoro-5-trifluoromethyl,acmc-209ygd,4-bromo-2-fluoro-5-trifluoromethyl phenylamine,4-bromanyl-2-fluoranyl-5-trifluoromethyl aniline PubChem CID: 7018046 IUPAC Name: 4-bromo-2-fluoro-5-(trifluoromethyl)aniline SMILES: NC1=C(F)C=C(Br)C(=C1)C(F)(F)F

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Specifications

PubChem CID	7018046
CAS	104460-70-0
Molecular Weight (g/mol)	258.01
MDL Number	MFCD04973757
SMILES	NC1=C(F)C=C(Br)C(=C1)C(F)(F)F
Synonym	4-bromo-2-fluoro-5-trifluoromethyl aniline,benzenamine, 4-bromo-2-fluoro-5-trifluoromethyl,benzenamine,4-bromo-2-fluoro-5-trifluoromethyl,acmc-209ygd,4-bromo-2-fluoro-5-trifluoromethyl phenylamine,4-bromanyl-2-fluoranyl-5-trifluoromethyl aniline
IUPAC Name	4-bromo-2-fluoro-5-(trifluoromethyl)aniline
InChI Key	UYVDMCXPDGRLEC-UHFFFAOYSA-N
Molecular Formula	C7H4BrF4N

5,533

(2-Butenyl)triphenylphosphonium chloride, 97%

CAS: 13138-25-5 Molecular Formula: C22H22ClP Molecular Weight (g/mol): 352.84 MDL Number: MFCD00051868 InChI Key: YYTDJYJBYMQMDI-SQQVDAMQSA-M Synonym: 2-butenyl triphenylphosphonium chloride,but-2-en-1-yltriphenylphosphonium chloride,2e-but-2-en-1-yltriphenylphosphanium chloride PubChem CID: 11824356 IUPAC Name: [(E)-but-2-enyl]-triphenylphosphanium;chloride SMILES: [Cl-].C\C=C\C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	11824356
CAS	13138-25-5
Molecular Weight (g/mol)	352.84
MDL Number	MFCD00051868
SMILES	[Cl-].C\C=C\C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	2-butenyl triphenylphosphonium chloride,but-2-en-1-yltriphenylphosphonium chloride,2e-but-2-en-1-yltriphenylphosphanium chloride
IUPAC Name	[(E)-but-2-enyl]-triphenylphosphanium;chloride
InChI Key	YYTDJYJBYMQMDI-SQQVDAMQSA-M
Molecular Formula	C22H22ClP

5,534

2,3-Dichlorobenzylamine, 97%

CAS: 39226-95-4 Molecular Formula: C7H7Cl2N Molecular Weight (g/mol): 176.04 MDL Number: MFCD00047927 InChI Key: JHBVZGONNIVXFJ-UHFFFAOYSA-N Synonym: 2,3-dichlorobenzylamine,2,3-dichlorophenyl methanamine,2,3-dichloro-benzylamine,2,3-dichlorobenzyl amine,chembl13165,1-2,3-dichlorophenyl methanamine,benzenemethanamine, 2,3-dichloro,2,3-dichlorophenyl methylamine,pubchem16713,acmc-1ae0r PubChem CID: 587625 IUPAC Name: (2,3-dichlorophenyl)methanamine SMILES: C1=CC(=C(C(=C1)Cl)Cl)CN

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Specifications

PubChem CID	587625
CAS	39226-95-4
Molecular Weight (g/mol)	176.04
MDL Number	MFCD00047927
SMILES	C1=CC(=C(C(=C1)Cl)Cl)CN
Synonym	2,3-dichlorobenzylamine,2,3-dichlorophenyl methanamine,2,3-dichloro-benzylamine,2,3-dichlorobenzyl amine,chembl13165,1-2,3-dichlorophenyl methanamine,benzenemethanamine, 2,3-dichloro,2,3-dichlorophenyl methylamine,pubchem16713,acmc-1ae0r
IUPAC Name	(2,3-dichlorophenyl)methanamine
InChI Key	JHBVZGONNIVXFJ-UHFFFAOYSA-N
Molecular Formula	C7H7Cl2N

5,535

4-(Methanesulfonyl)phenylboronic acid, 98+%

CAS: 149104-88-1 Molecular Formula: C7H9BO4S Molecular Weight (g/mol): 200.02 MDL Number: MFCD01630820 InChI Key: VDUKDQTYMWUSAC-UHFFFAOYSA-N Synonym: 4-methylsulfonyl phenylboronic acid,4-methanesulfonyl phenylboronic acid,4-methylsulfonyl phenyl boronic acid,4-methanesulfonyl benzeneboronic acid,4-methanesulfonylphenylboronic acid,4-methylsulfonylphenyl boronic acid,4-boronophenyl methyl sulphone,4-methylsulphonyl phenylboronic acid,4-methylsulphonyl benzeneboronic acid,4-methanesulfonylphenyl boranediol PubChem CID: 2734364 IUPAC Name: (4-methylsulfonylphenyl)boronic acid SMILES: CS(=O)(=O)C1=CC=C(C=C1)B(O)O

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Specifications

PubChem CID	2734364
CAS	149104-88-1
Molecular Weight (g/mol)	200.02
MDL Number	MFCD01630820
SMILES	CS(=O)(=O)C1=CC=C(C=C1)B(O)O
Synonym	4-methylsulfonyl phenylboronic acid,4-methanesulfonyl phenylboronic acid,4-methylsulfonyl phenyl boronic acid,4-methanesulfonyl benzeneboronic acid,4-methanesulfonylphenylboronic acid,4-methylsulfonylphenyl boronic acid,4-boronophenyl methyl sulphone,4-methylsulphonyl phenylboronic acid,4-methylsulphonyl benzeneboronic acid,4-methanesulfonylphenyl boranediol
IUPAC Name	(4-methylsulfonylphenyl)boronic acid
InChI Key	VDUKDQTYMWUSAC-UHFFFAOYSA-N
Molecular Formula	C7H9BO4S

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