2-(3-chlorophenyl)-N-methyl-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Chemical Structure Depiction of
2-(3-chlorophenyl)-N-methyl-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
2-(3-chlorophenyl)-N-methyl-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0958 |
| Compound Name: | 2-(3-chlorophenyl)-N-methyl-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 269.64 |
| Molecular Formula: | C9 H8 Cl N5 O3 |
| Smiles: | CNc1c(nn(c2cccc(c2)[Cl])[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8649 |
| logD: | 1.8649 |
| logSw: | -2.7019 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.828 |
| InChI Key: | UCXZWNRFDRYGFX-UHFFFAOYSA-N |