1-(4-Bromophenyl)-2-(triphenylphosphoranyl)ethanone

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Basic information

CAS: 2928-58-7
Standard SMILES: O=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1
InChIKey: CCJMJOAAOMAILO-UHFFFAOYSA-N
Molecular formula: C26H21BrOP+
Average molar mass: 460.3 g/mol
Monoisotopic mass: 459.05134

Names & identifiers

Preferred name: 1-(4-Bromophenyl)-2-(triphenylphosphoranyl)ethanone
IUPAC: [2-(4-bromophenyl)-2-oxoethyl]-triphenylphosphanium

Names & synonyms

1-(4-Bromophenyl)-2-(triphenylphosphoranyl)ethanone2928-58-7NSC 105707DTXSID10183530RefChem:224882DTXCID50106021NSC105707SCHEMBL21017550[2-(4-Bromophenyl)-2-oxoethyl]tri(phenyl)phosphanium[2-(4-bromophenyl)-2-oxo-ethyl]-triphenyl-phosphonium

Database identifiers

CAS: 2928-58-7
PubChem CID: 494080
DTXSID: DTXSID10183530
Nikkaji: J1.204.278G、J3.386.397G

Properties

Computed structural properties

XLogP: 6.7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 6
Heavy atoms: 29
Formal charge: 1
Complexity: 463

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Compound notes

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