HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(4-Fluorophenoxy)pyrimidine
2-(4-Fluorophenoxy)pyrimidine · Pyrimidine, 2-(4-fluorophenoxy)- · 4-fluorophenyl 2-pyrimidinyl ether
Identifiers & Physical Properties
| CAS No. | 271793-71-6 |
|---|---|
| Molecular formula | C10H7FN2O |
| Average molar mass | 190.17 g/mol |
| SMILES | Fc1ccc(Oc2ncccn2)cc1 |
| InChIKey | ATBBALWKOAZIFL-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 35 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 166 |
| Boiling point | 313.6±44.0 °C(Predicted) |
| Density | 1.262±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 1.89±0.33(Predicted) |