methyl 5-nitro-2H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-nitro-2H-1,2,3-triazole-4-carboxylate
methyl 5-nitro-2H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8014-2112 |
| Compound Name: | methyl 5-nitro-2H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 172.1 |
| Molecular Formula: | C4 H4 N4 O4 |
| Smiles: | COC(c1c(n[nH]n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.3075 |
| logD: | -4.2601 |
| logSw: | -0.5621 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.4 |
| InChI Key: | VZOGVAWHFFOYNM-UHFFFAOYSA-N |