Basic information
- Standard SMILES
COc1cccc(CCCC(=O)CCBr)c1- InChIKey
VYYBDWFOTJLIIK-UHFFFAOYSA-N- Molecular formula
- C13H17BrO2
- Average molar mass
- 285.18 g/mol
- Monoisotopic mass
- 284.04119
Names & identifiers
- Preferred name
- 1-Bromo-6-(m-methoxyphenyl)hexan-3-one
- IUPAC
- 1-bromo-6-(3-methoxyphenyl)hexan-3-one
Names & synonyms
SCHEMBL11863765VYYBDWFOTJLIIK-UHFFFAOYSA-N1-bromo-6-(m-methoxyphenyl)hexan-3-one
Database identifiers
- PubChem CID
- 21485513
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 206
Related reactions
3 records
Compound notes
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