3,5-dichloro-1-[(4-nitrophenyl)methyl]-1H-1,2,4-triazole
Chemical Structure Depiction of
3,5-dichloro-1-[(4-nitrophenyl)methyl]-1H-1,2,4-triazole
3,5-dichloro-1-[(4-nitrophenyl)methyl]-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8017-4519 |
| Compound Name: | 3,5-dichloro-1-[(4-nitrophenyl)methyl]-1H-1,2,4-triazole |
| Molecular Weight: | 273.07 |
| Molecular Formula: | C9 H6 Cl2 N4 O2 |
| Smiles: | C(c1ccc(cc1)[N+]([O-])=O)n1c(nc(n1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.456 |
| logD: | 2.456 |
| logSw: | -3.0191 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.359 |
| InChI Key: | XIESOHNLEIJUCS-UHFFFAOYSA-N |