ethyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate
Chemical Structure Depiction of
ethyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate
ethyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate
Compound characteristics
| Compound ID: | 6228-1037 |
| Compound Name: | ethyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate |
| Molecular Weight: | 200.15 |
| Molecular Formula: | C6 H8 N4 O4 |
| Smiles: | CCOC(Cn1cnc(n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1787 |
| logD: | 0.1787 |
| logSw: | -0.8589 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.065 |
| InChI Key: | IJKYMLBNYHCLIH-UHFFFAOYSA-N |