5-bromo-1-[(4-chlorophenyl)methyl]-3-nitro-1H-1,2,4-triazole
Chemical Structure Depiction of
5-bromo-1-[(4-chlorophenyl)methyl]-3-nitro-1H-1,2,4-triazole
5-bromo-1-[(4-chlorophenyl)methyl]-3-nitro-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8019-8190 |
| Compound Name: | 5-bromo-1-[(4-chlorophenyl)methyl]-3-nitro-1H-1,2,4-triazole |
| Molecular Weight: | 317.53 |
| Molecular Formula: | C9 H6 Br Cl N4 O2 |
| Smiles: | C(c1ccc(cc1)[Cl])n1c(nc(n1)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.7084 |
| logD: | 2.7084 |
| logSw: | -3.3609 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.933 |
| InChI Key: | DKMSAEHGPOJTNW-UHFFFAOYSA-N |