Basic information
- Standard SMILES
CSc1ccc(C(Br)C(=O)c2ccccc2F)cc1- InChIKey
FHJSCTOCCMFEJS-UHFFFAOYSA-N- Molecular formula
- C15H12BrFOS
- Average molar mass
- 339.2 g/mol
- Monoisotopic mass
- 337.97763
Names & identifiers
- Preferred name
- 1-(2-Fluorophenyl)-2-(4-methylthiophenyl)-2-bromo ethanone
- IUPAC
- 2-bromo-1-(2-fluorophenyl)-2-(4-methylsulfanylphenyl)ethanone
Names & synonyms
SCHEMBL7843292FHJSCTOCCMFEJS-UHFFFAOYSA-N1-(2-fluorophenyl)-2-(4-methylthiophenyl)-2-bromo ethanone1-(2-fluorophenyl)-2-(4-methylthiophenyl)-2-bromo-ethanone
Database identifiers
- PubChem CID
- 53799463
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 305
Related reactions
3 records
Compound notes
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