1-(4-Bromophenyl)-2-(diethylamino)ethan-1-one

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Basic information

CAS: 64696-78-2
Standard SMILES: CCN(CC)CC(=O)c1ccc(Br)cc1
InChIKey: WLDBRCXWSNBMLG-UHFFFAOYSA-N
Molecular formula: C12H16BrNO
Average molar mass: 270.17 g/mol
Monoisotopic mass: 269.04153

Names & identifiers

Preferred name: 1-(4-Bromophenyl)-2-(diethylamino)ethan-1-one
IUPAC: 1-(4-bromophenyl)-2-(diethylamino)ethanone

Names & synonyms

64696-78-2NCIOpen2_007106SCHEMBL11754117DTXSID70328804AKOS0089648341-(4-bromophenyl)-2-diethylaminoethanone1-(4-Bromophenyl)-2-(diethylamino)ethan-1-one

Database identifiers

CAS: 64696-78-2
PubChem CID: 414083
DTXSID: DTXSID70328804

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 196

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