HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(3,4-Difluoro-phenyl)-2-[1,2,4]triazol-1-yl-ethanone
Voriconazole Impurity 81 · Ethanone, 1-(3,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)- · 1-(3,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one · 1-(3,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanoneQ: What is 1-(3,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone Q: What is the CAS Number of 1-(3,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone
![1-(3,4-Difluoro-phenyl)-2-[1,2,4]triazol-1-yl-ethanone molecular structure](/img/chemical/178644635.png)
Identifiers & Physical Properties
| CAS No. | 351042-08-5 |
|---|---|
| Molecular formula | C10H7F2N3O |
| Average molar mass | 223.18 g/mol |
| Monoisotopic mass | 223.05571818 g/mol |
| SMILES | O=C(Cn1cncn1)c1ccc(F)c(F)c1 |
| InChIKey | JRNODLCIGOCBKO-UHFFFAOYSA-N |
| PubChem CID | 723809 |
| ChEMBL | CHEMBL2063493 |
Chemical & Physical Properties
| XLogP | 1.7 |
|---|---|
| Topological polar surface area | 47.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 3 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 264 |
| Boiling point | 404.8±55.0 °C(Predicted) |
| Density | 1.39±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 2.03±0.10(Predicted) |