Basic information
- Standard SMILES
CCOC(=O)CC(C)(Br)c1ccc(-c2ccc(F)cc2)cc1- InChIKey
QBVAKYGNVWXGIV-UHFFFAOYSA-N- Molecular formula
- C18H18BrFO2
- Average molar mass
- 365.2 g/mol
- Monoisotopic mass
- 364.04742
Names & identifiers
- Preferred name
- 3-Bromo-3-(4'-fluoro-4-biphenylyl)-butyric acid ethyl ester
- IUPAC
- ethyl 3-bromo-3-[4-(4-fluorophenyl)phenyl]butanoate
Names & synonyms
SCHEMBL11843826QBVAKYGNVWXGIV-UHFFFAOYSA-N3-bromo-3-(4'-fluoro-4-biphenylyl)-butyric acid ethyl ester
Database identifiers
- PubChem CID
- 68141015
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 360
Related reactions
1 records
Compound notes
Loading…