2-(3-methylphenyl)-4-nitro-1-oxo-2H-1,2,3lambda~5~-triazole
Chemical Structure Depiction of
2-(3-methylphenyl)-4-nitro-1-oxo-2H-1,2,3lambda~5~-triazole
2-(3-methylphenyl)-4-nitro-1-oxo-2H-1,2,3lambda~5~-triazole
Compound characteristics
| Compound ID: | C301-0152 |
| Compound Name: | 2-(3-methylphenyl)-4-nitro-1-oxo-2H-1,2,3lambda~5~-triazole |
| Molecular Weight: | 220.18 |
| Molecular Formula: | C9 H8 N4 O3 |
| Smiles: | Cc1cccc(c1)n1nc(c[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6073 |
| logD: | 1.6073 |
| logSw: | -1.6518 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.5 |
| InChI Key: | OWPYQLMRJPAHEF-UHFFFAOYSA-N |