1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-nitro-1H-1,2,4-triazole
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-nitro-1H-1,2,4-triazole
1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-nitro-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8014-9977 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-nitro-1H-1,2,4-triazole |
| Molecular Weight: | 248.19 |
| Molecular Formula: | C10 H8 N4 O4 |
| Smiles: | C(c1ccc2c(c1)OCO2)n1cnc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.4251 |
| logD: | 1.4251 |
| logSw: | -1.9853 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.75 |
| InChI Key: | ACSFDWNTGAJADG-UHFFFAOYSA-N |