Basic information
- Standard SMILES
N#Cc1ccc(C(=O)c2ccc(F)cc2)c(CCl)c1- InChIKey
GVXOLLBSVPSMNA-UHFFFAOYSA-N- Molecular formula
- C15H9ClFNO
- Average molar mass
- 273.69 g/mol
Names & identifiers
- Preferred name
- 3-Chloromethyl-4-(4-fluoro-benzoyl)-benzonitrile
- IUPAC
- 3-(chloromethyl)-4-(4-fluorobenzoyl)benzonitrile
Names & synonyms
445312-08-3SCHEMBL6505737GVXOLLBSVPSMNA-UHFFFAOYSA-NDA-057813-Chloromethyl-4-(4-fluoro-benzoyl)-benzonitrile
Database identifiers
- PubChem CID
- 9943434
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 370
Related reactions
12 records
Compound notes
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