1,1,3-Tribromo-3-methyl-2-butanone

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Basic information

CAS: 1578-05-8
Standard SMILES: CC(C)(Br)C(=O)C(Br)Br
InChIKey: HEYKFXBVIXZIFB-UHFFFAOYSA-N
Molecular formula: C5H7Br3O
Average molar mass: 322.82 g/mol
Monoisotopic mass: 319.8047

Names & identifiers

Preferred name: 1,1,3-Tribromo-3-methyl-2-butanone
IUPAC: 1,1,3-tribromo-3-methylbutan-2-one

Names & synonyms

1,1,3-Tribromo-3-methyl-2-butanone1578-05-8NSC1027NSC 10271,1,3-tribromo-3-methylbutan-2-oneNCIMech_000680CHEMBL1970620DTXSID40166316NSC-10271,3-Tribromo-3-methyl-2-butanoneCCG-358032-Butanone,1,3-tribromo-3-methyl-

Show more names

1,1,3-tribromo-3-methyl-butan-2-oneNCI60_000073PD011862

Database identifiers

CAS: 1578-05-8
PubChem CID: 219573
DTXSID: DTXSID40166316
ChEMBL: CHEMBL1970620

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 119

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Compound notes

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