ethyl [3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetate
Chemical Structure Depiction of
ethyl [3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetate
ethyl [3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetate
Compound characteristics
| Compound ID: | 8020-1603 |
| Compound Name: | ethyl [3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetate |
| Molecular Weight: | 276.25 |
| Molecular Formula: | C12 H12 N4 O4 |
| Smiles: | CCOC(Cc1nc(c2cccc(c2)[N+]([O-])=O)n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3125 |
| logD: | 2.2956 |
| logSw: | -2.8136 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.554 |
| InChI Key: | CLHLWUYFQRBKFH-UHFFFAOYSA-N |