1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
Chemical Structure Depiction of
1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y507-5260 |
| Compound Name: | 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole |
| Molecular Weight: | 258.16 |
| Molecular Formula: | C9 H5 F3 N4 O2 |
| Smiles: | c1cc(c(cc1C(F)(F)F)[N+]([O-])=O)n1cncn1 |
| Stereo: | ACHIRAL |
| logP: | 1.8323 |
| logD: | 1.8323 |
| logSw: | -2.0805 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.847 |
| InChI Key: | KZMGWGNOCPTZDA-UHFFFAOYSA-N |