1-Bromo-4-chloro-3,3,6-trimethylhept-5-en-2-one
Basic information
- CAS
89084-56-0- Standard SMILES
CC(C)=CC(Cl)C(C)(C)C(=O)CBr- InChIKey
KJERPJGKMCFOIU-UHFFFAOYSA-N- Molecular formula
- C10H16BrClO
- Average molar mass
- 267.59 g/mol
- Monoisotopic mass
- 266.00731
Names & identifiers
- Preferred name
- 1-Bromo-4-chloro-3,3,6-trimethylhept-5-en-2-one
- IUPAC
- 1-bromo-4-chloro-3,3,6-trimethylhept-5-en-2-one
Names & synonyms
89084-56-01-Bromo-4-chloro-3,3,6-trimethylhept-5-en-2-oneSCHEMBL9774674DTXSID20602121KJERPJGKMCFOIU-UHFFFAOYSA-N2,5,5-trimethyl-4-chloro-7-bromo-2-hepten-6-one
Database identifiers
- CAS
89084-56-0- PubChem CID
- 20071053
- DTXSID
DTXSID20602121
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
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Related reactions
1 records
Compound notes
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