ethyl 1-(2,4-dinitrophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(2,4-dinitrophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
ethyl 1-(2,4-dinitrophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | F235-1011 |
| Compound Name: | ethyl 1-(2,4-dinitrophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 321.25 |
| Molecular Formula: | C12 H11 N5 O6 |
| Smiles: | CCOC(c1c(C)n(c2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6482 |
| logD: | 1.6482 |
| logSw: | -2.1104 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 113.996 |
| InChI Key: | UZWRIBAWYHQMRF-UHFFFAOYSA-N |