Basic information
- Standard SMILES
N#CCc1ccc(-c2cccc(Cl)c2)cc1F- InChIKey
YRBODUBSOJFPRO-UHFFFAOYSA-N- Molecular formula
- C14H9ClFN
- Average molar mass
- 245.68 g/mol
- Monoisotopic mass
- 245.0407551
Names & identifiers
- Preferred name
- 2-(3'-Chloro-3-fluorobiphenyl-4-yl)acetonitrile
- IUPAC
- 2-[4-(3-chlorophenyl)-2-fluorophenyl]acetonitrile
Names & synonyms
SCHEMBL2761139YRBODUBSOJFPRO-UHFFFAOYSA-N2-(3'-chloro-3-fluorobiphenyl-4-yl)acetonitrileA1-1101622-(3'-Chloro-3-fluoro-[1,1'-biphenyl]-4-yl)acetonitrile
Database identifiers
- PubChem CID
- 59607796
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 298
Related reactions
5 records
Compound notes
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