3-(Phenylsulfonyl)benzoic acid

HCID 238599
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Basic information

CAS
2548-44-9
Standard SMILES
O=C(O)c1cccc(S(=O)(=O)c2ccccc2)c1
InChIKey
MAVYXMCSVGUDEZ-UHFFFAOYSA-N
Molecular formula
C13H10O4S
Average molar mass
262.28 g/mol
Monoisotopic mass
262.0299798

Names & identifiers

Preferred name
3-(Phenylsulfonyl)benzoic acid
IUPAC
3-(benzenesulfonyl)benzoic acid
English name
m-(Phenylsulfonyl)benzoic acid
Molecular formula
C13H10O4S
Molecular weight
262.28

Names & synonyms

3-(Phenylsulfonyl)benzoic acid2548-44-96F8EVQ2464NSC 43055NSC-43055DTXSID70180161M-PHENYLSULFONYLBENZOIC ACIDBENZOIC ACID, 3-(PHENYLSULFONYL)-RefChem:92723DTXCID801026523-(benzenesulfonyl)benzoic acidBenzoic acid,3-(phenylsulfonyl)-
Show more names
m-(Phenylsulfonyl)benzoic acid
UNII-6F8EVQ2464NSC43055SCHEMBL1000532MAVYXMCSVGUDEZ-UHFFFAOYSA-N

Database identifiers

CAS
2548-44-9
PubChem CID
238599
DTXSID
DTXSID70180161
UNII
6F8EVQ2464
Nikkaji
J308.130C

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
79.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
18

Physicochemical properties

FDA UNII
6 F8EVQ2464 · 6F8EVQ2464

Chemistry & industry

Suppliers2 total

上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]

Related reactions

8 records
New reaction record

Compound notes

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