Basic information
- Standard SMILES
O=C(CBr)CCCC(=O)OCc1ccccc1- InChIKey
LEPDQCIFRHDPTJ-UHFFFAOYSA-N- Molecular formula
- C13H15BrO3
- Average molar mass
- 299.16 g/mol
Names & identifiers
- Preferred name
- 6-Bromo-5-oxo-hexanoic acid benzyl ester
- IUPAC
- benzyl 6-bromo-5-oxohexanoate
Names & synonyms
6-bromo-5-oxo-hexanoic acid benzyl esterSCHEMBL1518084LEPDQCIFRHDPTJ-UHFFFAOYSA-N1029126-16-6DB-219760
Database identifiers
- PubChem CID
- 86621790
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 247
Related reactions
6 records
Compound notes
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