Basic information
- Standard SMILES
N#CC(=O)c1ccc(C(Cl)(Cl)Cl)cc1- InChIKey
YEHATNSHSCNOAQ-UHFFFAOYSA-N- Molecular formula
- C9H4Cl3NO
- Average molar mass
- 248.5 g/mol
Names & identifiers
- Preferred name
- p-Trichloromethylbenzoyl cyanide
- IUPAC
- 4-(trichloromethyl)benzoyl cyanide
Names & synonyms
p-trichloromethylbenzoyl cyanideSCHEMBL10970414YEHATNSHSCNOAQ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 20510484
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 268
Related reactions
1 records
Compound notes
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