2-(4-methoxyphenyl)-4-nitro-1-oxo-2H-1,2,3lambda~5~-triazole
Chemical Structure Depiction of
2-(4-methoxyphenyl)-4-nitro-1-oxo-2H-1,2,3lambda~5~-triazole
2-(4-methoxyphenyl)-4-nitro-1-oxo-2H-1,2,3lambda~5~-triazole
Compound characteristics
| Compound ID: | C437-0003 |
| Compound Name: | 2-(4-methoxyphenyl)-4-nitro-1-oxo-2H-1,2,3lambda~5~-triazole |
| Molecular Weight: | 236.18 |
| Molecular Formula: | C9 H8 N4 O4 |
| Smiles: | COc1ccc(cc1)n1nc(c[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.122 |
| logD: | 1.122 |
| logSw: | -1.7655 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.044 |
| InChI Key: | UXWJFMCPUFIUMA-UHFFFAOYSA-N |