methyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate
Chemical Structure Depiction of
methyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate
methyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate
Compound characteristics
| Compound ID: | K061-1120 |
| Compound Name: | methyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate |
| Molecular Weight: | 186.12 |
| Molecular Formula: | C5 H6 N4 O4 |
| Smiles: | COC(Cn1cnc(n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.3561 |
| logD: | -0.3561 |
| logSw: | -0.7578 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.485 |
| InChI Key: | XBISXCYXLGZZFH-UHFFFAOYSA-N |