4-nitro-1-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1,2,3lambda~5~-triazole
Chemical Structure Depiction of
4-nitro-1-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1,2,3lambda~5~-triazole
4-nitro-1-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1,2,3lambda~5~-triazole
Compound characteristics
| Compound ID: | C301-1214 |
| Compound Name: | 4-nitro-1-oxo-2-[3-(trifluoromethyl)phenyl]-2H-1,2,3lambda~5~-triazole |
| Molecular Weight: | 274.16 |
| Molecular Formula: | C9 H5 F3 N4 O3 |
| Smiles: | c1cc(cc(c1)n1nc(c[n+]1[O-])[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 1.9655 |
| logD: | 1.9655 |
| logSw: | -1.9724 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.5 |
| InChI Key: | OIAWBKFCTBNTLI-UHFFFAOYSA-N |