methyl 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
methyl 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8012-5704 |
| Compound Name: | methyl 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 330.22 |
| Molecular Formula: | C12 H9 F3 N4 O4 |
| Smiles: | Cc1c(C(=O)OC)nnn1c1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 2.1409 |
| logD: | 2.1409 |
| logSw: | -2.6226 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.035 |
| InChI Key: | GWUFYLKNFGEXHJ-UHFFFAOYSA-N |