2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-nitro-1-oxo-2H-1,2,3lambda~5~-triazole
Chemical Structure Depiction of
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-nitro-1-oxo-2H-1,2,3lambda~5~-triazole
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-nitro-1-oxo-2H-1,2,3lambda~5~-triazole
Compound characteristics
| Compound ID: | C437-0002 |
| Compound Name: | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-nitro-1-oxo-2H-1,2,3lambda~5~-triazole |
| Molecular Weight: | 264.19 |
| Molecular Formula: | C10 H8 N4 O5 |
| Smiles: | C1COc2cc(ccc2O1)n1nc(c[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.2042 |
| logD: | 0.2042 |
| logSw: | -1.5012 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 83.323 |
| InChI Key: | MUASNGQLUSEHBT-UHFFFAOYSA-N |