Basic information
- CAS
71700-44-2- Standard SMILES
CC(=O)C(Br)CC(C)C- InChIKey
AKXQIHQVZDCBJY-UHFFFAOYSA-N- Molecular formula
- C7H13BrO
- Average molar mass
- 193.08 g/mol
- Monoisotopic mass
- 192.01498
Names & identifiers
- Preferred name
- 3-Bromo-5-methylhexan-2-one
- IUPAC
- 3-bromo-5-methylhexan-2-one
Names & synonyms
71700-44-2NSC118135SCHEMBL25327561NSC-118135
Database identifiers
- CAS
71700-44-2- PubChem CID
- 273139
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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