1-[(2-chloro-4-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazole
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazole
1-[(2-chloro-4-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y501-9788 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-3-nitro-1H-1,2,4-triazole |
| Molecular Weight: | 256.62 |
| Molecular Formula: | C9 H6 Cl F N4 O2 |
| Smiles: | C(c1ccc(cc1[Cl])F)n1cnc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4475 |
| logD: | 2.4475 |
| logSw: | -3.0213 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.634 |
| InChI Key: | GIFQUJUIHVNYAV-UHFFFAOYSA-N |