3-(Trifluoromethoxy)benzonitrile
3-(trifluoromethoxy)benzonitrile
Also Known As: 3-(Trifluoromethoxy)benzonitrile|m-trifluoromethoxybenzonitrile|3-Trifluoromethoxybenzonitrile|3-trifluoromethoxy-benzonitrile|ACMC-1ART8|3-(Tirfluoromethoxy)benzonitrile|DCZAPXGEZYVQNX-UHFFFAOYSA-|BENZONITRILE, 3-(TRIFLUOROMETHOXY)-|2-fluoro-6-phenoxybenzonitrile|m-(Trifluoromethoxy)benzonitrile|3 - Trifluoromethoxybenzonitrile|TIMTEC-BB SBB017049|3-(trifluoromethoxy)benzenecarbonitrile|JRD-0651|KS-00000KM8|CK2144|CT-856|3-(Trifluoromethoxy)benzonitrile, 98%|AC-4109|PS-8462
| Molecular Formula | C8H4F3NO |
|---|---|
| Molecular Weight | 187.0245 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.0245 |
| Monoisotopic Mass | 187.0245 |
| Heavy Atoms | 13 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 175204-06-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC(F)(F)F)C#N |
| InChIKey | DCZAPXGEZYVQNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Trifluoromethoxy)benzonitrile (CAS 175204-06-5), with molecular formula C8H4F3NO and molecular weight 187.0245 g/mol. IUPAC: 3-(trifluoromethoxy)benzonitrile.