3-phenylpropyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate
Chemical Structure Depiction of
3-phenylpropyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate
3-phenylpropyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate
Compound characteristics
| Compound ID: | 6228-0772 |
| Compound Name: | 3-phenylpropyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate |
| Molecular Weight: | 290.28 |
| Molecular Formula: | C13 H14 N4 O4 |
| Smiles: | C(Cc1ccccc1)COC(Cn1cnc(n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1702 |
| logD: | 2.1702 |
| logSw: | -2.3283 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.087 |
| InChI Key: | PYKLPAOPURJZLI-UHFFFAOYSA-N |