1,3,4-Tribromo-4-phenylbutan-2-one

HCID 219260

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Basic information

CAS: 5336-39-0
Standard SMILES: O=C(CBr)C(Br)C(Br)c1ccccc1
InChIKey: ZCLSLWPGIJDTTO-UHFFFAOYSA-N
Molecular formula: C10H9Br3O
Average molar mass: 384.89 g/mol
Monoisotopic mass: 381.82035

Names & identifiers

Preferred name: 1,3,4-Tribromo-4-phenylbutan-2-one
IUPAC: 1,3,4-tribromo-4-phenylbutan-2-one

Names & synonyms

1,3,4-tribromo-4-phenylbutan-2-one5336-39-0DTXSID30276993RefChem:217080DTXCID70228153NSC323SCHEMBL11748350NSC-323AKOS0243760891,4-TRIBROMO-4-PHENYL-2-BUTANONEST51017556

Database identifiers

CAS: 5336-39-0
PubChem CID: 219260
DTXSID: DTXSID30276993

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 190

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