ethyl 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
ethyl 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8008-7680 |
| Compound Name: | ethyl 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 344.25 |
| Molecular Formula: | C13 H11 F3 N4 O4 |
| Smiles: | CCOC(c1c(C)n(c2ccc(cc2[N+]([O-])=O)C(F)(F)F)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4908 |
| logD: | 2.4908 |
| logSw: | -2.6736 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.615 |
| InChI Key: | UJNZZKDTIDMGJP-UHFFFAOYSA-N |