7-methoxy-5-nitro-3-oxo-1H-1lambda~5~,2,3-benzotriazole
Chemical Structure Depiction of
7-methoxy-5-nitro-3-oxo-1H-1lambda~5~,2,3-benzotriazole
7-methoxy-5-nitro-3-oxo-1H-1lambda~5~,2,3-benzotriazole
Compound characteristics
| Compound ID: | Y508-8443 |
| Compound Name: | 7-methoxy-5-nitro-3-oxo-1H-1lambda~5~,2,3-benzotriazole |
| Molecular Weight: | 210.15 |
| Molecular Formula: | C7 H6 N4 O4 |
| Smiles: | COc1cc(cc2c1[nH]n[n+]2[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.0893 |
| logD: | -1.1893 |
| logSw: | -1.8687 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.846 |
| InChI Key: | RJRJNGVDUZIMOF-UHFFFAOYSA-N |