Basic information
- Standard SMILES
O=C(CBr)CC(=O)OC(c1ccccc1)c1ccccc1- InChIKey
FHSRJJGTLZGBKD-UHFFFAOYSA-N- Molecular formula
- C17H15BrO3
- Average molar mass
- 347.2 g/mol
- Monoisotopic mass
- 346.02046
Names & identifiers
- Preferred name
- Benzhydryl 4-bromo-3-oxobutyrate
- IUPAC
- benzhydryl 4-bromo-3-oxobutanoate
Names & synonyms
SCHEMBL10414886benzhydryl 4-bromo-3-oxobutyratebenzhydryl 4-bromo-3-oxobutanoateFHSRJJGTLZGBKD-UHFFFAOYSA-NDB-4294144-bromo-3-ketobutyric acid diphenylmethyl ester66437-20-5
Database identifiers
- PubChem CID
- 15080911
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 326
Related reactions
6 records
Compound notes
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