Benzenesulfonic acid, phenyl ester

HCID 78064

Notes Reactions

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Basic information

CAS: 4358-63-8
Standard SMILES: O=S(=O)(Oc1ccccc1)c1ccccc1
InChIKey: CGEXUOTXYSGBLV-UHFFFAOYSA-N
Molecular formula: C12H10O3S
Average molar mass: 234.27 g/mol
Monoisotopic mass: 234.03506535

Names & identifiers

Preferred name: Benzenesulfonic acid, phenyl ester
IUPAC: phenyl benzenesulfonate
English name: Benzenesulfonic acid phenyl ester
Molecular formula: C12H10O3S
Molecular weight: 234.27

Names & synonyms

4358-63-8Benzenesulfonic acid, phenyl esterAI3-03811DTXSID50195879RefChem:118082DTXCID40118370phenyl benzenesulfonateBenzenesulfonic acid phenyl esterphenoxysulfonylbenzeneSCHEMBL19146SCHEMBL687580SensitizerPhenylBenzenesulfonate

Show more names

SCHEMBL4175711SCHEMBL4600112SCHEMBL6030847SCHEMBL6882273SCHEMBL9789810CGEXUOTXYSGBLV-UHFFFAOYSA-NMFCD00607983AKOS015964428

Database identifiers

CAS: 4358-63-8
PubChem CID: 78064
DTXSID: DTXSID50195879
Nikkaji: J80.803B

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 293

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical structure

LogP3.06

Chemistry & industry

Upstream & downstream products

Downstream products

Quinoline, 5-chloro-8-phenoxy-

Suppliers14 total

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

江西瑞威尔生物科技有限公司18502728206 · [email protected]

常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]

上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

Related reactions

1 records

New reaction record

HRID 1742551As productuspto-grants-1994_08

Compound notes

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