1-[(2-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazole
Chemical Structure Depiction of
1-[(2-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazole
1-[(2-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y502-0112 |
| Compound Name: | 1-[(2-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazole |
| Molecular Weight: | 222.18 |
| Molecular Formula: | C9 H7 F N4 O2 |
| Smiles: | C(c1ccccc1F)n1cnc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8631 |
| logD: | 1.8631 |
| logSw: | -1.9364 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.634 |
| InChI Key: | CRDIWVPDAWVLGS-UHFFFAOYSA-N |