5-bromo-1-[(4-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazole
Chemical Structure Depiction of
5-bromo-1-[(4-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazole
5-bromo-1-[(4-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8019-9104 |
| Compound Name: | 5-bromo-1-[(4-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazole |
| Molecular Weight: | 301.07 |
| Molecular Formula: | C9 H6 Br F N4 O2 |
| Smiles: | C(c1ccc(cc1)F)n1c(nc(n1)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.1427 |
| logD: | 2.1427 |
| logSw: | -2.384 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.933 |
| InChI Key: | DBVILYNSFFITFT-UHFFFAOYSA-N |