Basic information
- Standard SMILES
N#Cc1cc(C(=O)Cl)cc(C(F)(F)F)c1- InChIKey
MCRRXRSSESJCAM-UHFFFAOYSA-N- Molecular formula
- C9H3ClF3NO
- Average molar mass
- 233.57 g/mol
Names & identifiers
- Preferred name
- 3-Cyano-5-(trifluoromethyl)benzoyl chloride
- IUPAC
- 3-cyano-5-(trifluoromethyl)benzoyl chloride
Names & synonyms
3-cyano-5-(trifluoromethyl)benzoyl chlorideSCHEMBL42836321029317-37-03-Cyano-5-(trifluoromethyl)benzoylchloride
Database identifiers
- PubChem CID
- 86672069
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 306
Related reactions
2 records
Compound notes
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