Basic information
- Standard SMILES
Cc1ccccc1C(=O)CCc1cc(Br)ccc1F- InChIKey
QQOXACXHTODPND-UHFFFAOYSA-N- Molecular formula
- C16H14BrFO
- Average molar mass
- 321.18 g/mol
- Monoisotopic mass
- 320.02121
Names & identifiers
- Preferred name
- 3-(5-Bromo-2-fluoro-phenyl)-1-o-tolyl-propan-1-one
- IUPAC
- 3-(5-bromo-2-fluorophenyl)-1-(2-methylphenyl)propan-1-one
Names & synonyms
SCHEMBL14759419QQOXACXHTODPND-UHFFFAOYSA-N3-(5-bromo-2-fluoro-phenyl)-1-o-tolyl-propan-1-one
Database identifiers
- PubChem CID
- 71292973
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 307
Related reactions
2 records
Compound notes
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