1-[(4-chlorophenyl)methyl]-N-nitro-1H-1,2,4-triazol-4-ium-4-aminide
Chemical Structure Depiction of
1-[(4-chlorophenyl)methyl]-N-nitro-1H-1,2,4-triazol-4-ium-4-aminide
1-[(4-chlorophenyl)methyl]-N-nitro-1H-1,2,4-triazol-4-ium-4-aminide
Compound characteristics
| Compound ID: | 8010-0018 |
| Compound Name: | 1-[(4-chlorophenyl)methyl]-N-nitro-1H-1,2,4-triazol-4-ium-4-aminide |
| Molecular Weight: | 253.64 |
| Molecular Formula: | C9 H8 Cl N5 O2 |
| Smiles: | C(c1ccc(cc1)[Cl])n1c[n+](cn1)[N-][N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.0408 |
| logD: | 1.0408 |
| logSw: | -2.2736 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 66.555 |
| InChI Key: | MJJUAAVBCAZFOR-UHFFFAOYSA-N |