1-[1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethan-1-one
Chemical Structure Depiction of
1-[1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethan-1-one
1-[1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethan-1-one
Compound characteristics
| Compound ID: | K780-1239 |
| Compound Name: | 1-[1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethan-1-one |
| Molecular Weight: | 253.66 |
| Molecular Formula: | C11 H9 Cl F N3 O |
| Smiles: | CC(c1c(C)n(c2ccc(c(c2)[Cl])F)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0172 |
| logD: | 2.0172 |
| logSw: | -2.7608 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.908 |
| InChI Key: | INVDXUGQXKHWLB-UHFFFAOYSA-N |