[(2-Bromo-2-phenylethyl)sulfonyl]benzene

Substructure search Find similar structures

Basic information

CAS: 2643-39-2
Standard SMILES: O=S(=O)(CC(Br)c1ccccc1)c1ccccc1
InChIKey: SGERLRDULGCSFU-UHFFFAOYSA-N
Molecular formula: C14H13BrO2S
Average molar mass: 325.22 g/mol
Monoisotopic mass: 323.98196

Names & identifiers

Preferred name: [(2-Bromo-2-phenylethyl)sulfonyl]benzene
IUPAC: [2-(benzenesulfonyl)-1-bromoethyl]benzene

Names & synonyms

2643-39-2[(2-bromo-2-phenylethyl)sulfonyl]benzeneNSC3668[2-(benzenesulfonyl)-1-bromoethyl]benzeneSCHEMBL4817494DTXSID00277715SGERLRDULGCSFU-UHFFFAOYSA-NNSC-3668(2-benzenesulfonylmethyl)-benzyl bromide

Database identifiers

CAS: 2643-39-2
PubChem CID: 220653
DTXSID: DTXSID00277715

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 335

Related reactions

1 records

New reaction record

HRID 2055228As reactantuspto-grants-2008_02

Compound notes

Loading…