2-(4-chlorophenyl)-4-nitro-1-oxo-2H-1,2,3lambda~5~-triazole
Chemical Structure Depiction of
2-(4-chlorophenyl)-4-nitro-1-oxo-2H-1,2,3lambda~5~-triazole
2-(4-chlorophenyl)-4-nitro-1-oxo-2H-1,2,3lambda~5~-triazole
Compound characteristics
| Compound ID: | C301-0210 |
| Compound Name: | 2-(4-chlorophenyl)-4-nitro-1-oxo-2H-1,2,3lambda~5~-triazole |
| Molecular Weight: | 240.6 |
| Molecular Formula: | C8 H5 Cl N4 O3 |
| Smiles: | c1cc(ccc1n1nc(c[n+]1[O-])[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.7343 |
| logD: | 1.7343 |
| logSw: | -2.1899 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.5 |
| InChI Key: | NQPVZHKBLCSJJY-UHFFFAOYSA-N |