Basic information
- CAS
324-58-3- Standard SMILES
N#CC(=Cc1ccc(F)cc1)c1ccc(Cl)cc1- InChIKey
PXJDWVFBYVYGRZ-UHFFFAOYSA-N- Molecular formula
- C15H9ClFN
- Average molar mass
- 257.69 g/mol
- Monoisotopic mass
- 257.0407551
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-3-(4-fluorophenyl)prop-2-enenitrile
- IUPAC
- 2-(4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enenitrile
Names & synonyms
DTXSID106941962-(4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enenitrile
Database identifiers
- CAS
324-58-3- PubChem CID
- 53395643
- DTXSID
DTXSID10694196
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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