1-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-nitro-1H-1,2,4-triazol-4-ium-4-aminide
Chemical Structure Depiction of
1-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-nitro-1H-1,2,4-triazol-4-ium-4-aminide
1-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-nitro-1H-1,2,4-triazol-4-ium-4-aminide
Compound characteristics
| Compound ID: | 8007-4302 |
| Compound Name: | 1-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-nitro-1H-1,2,4-triazol-4-ium-4-aminide |
| Molecular Weight: | 331.11 |
| Molecular Formula: | C10 H8 Cl2 N6 O3 |
| Smiles: | C(C(Nc1ccc(cc1[Cl])[Cl])=O)n1c[n+](cn1)[N-][N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1573 |
| logD: | 1.1476 |
| logSw: | -2.6853 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.007 |
| InChI Key: | WXHQIJAZCUZEMB-UHFFFAOYSA-N |