1-(Benzenesulfonyl)-2-bromobenzene

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Basic information

CAS: 5324-79-8
Standard SMILES: O=S(=O)(c1ccccc1)c1ccccc1Br
InChIKey: LWLLKZNPFWWMGS-UHFFFAOYSA-N
Molecular formula: C12H9BrO2S
Average molar mass: 297.17 g/mol
Monoisotopic mass: 295.95066

Names & identifiers

Preferred name: 1-(Benzenesulfonyl)-2-bromobenzene
IUPAC: 1-(benzenesulfonyl)-2-bromobenzene

Names & synonyms

5324-79-81-(benzenesulfonyl)-2-bromobenzene1-bromo-2-(phenylsulfonyl)benzeneBenzene,1-bromo-2-(phenylsulfonyl)-1-(phenylsulfonyl)-2-bromobenzenebenzene, 1-bromo-2-(phenylsulfonyl)-NSC27321-(2-BROMOPHENYLSULFONYL)BENZENESCHEMBL3161212SCHEMBL3833910DTXSID90277527NSC 2732

Show more names

NSC-2732InChI=1/C12H9BrO2S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-9

Database identifiers

CAS: 5324-79-8
PubChem CID: 220258
DTXSID: DTXSID90277527
Nikkaji: J151.731G

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 314

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Related reactions

1 records

New reaction record

HRID 1523978As reactantuspto-grants-2015_07

Compound notes

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