HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Fluorochalcone oxide
4-fluorochalcone oxide · 3-(4-Fluorophenyl)-2-benzoyloxirane · Phenyl[3-(4-fluorophenyl)oxiranyl] ketone · α-[3-(4-Fluorophenyl)oxiranyl]benzaldehyde · Methanone, (3-(4-fluorophenyl)oxiranyl)phenyl- · Methanone, [3-(4-fluorophenyl)-2-oxiranyl]phenyl-

Identifiers & Physical Properties
| CAS No. | 42846-54-8 |
|---|---|
| Molecular formula | C15H11FO2 |
| Average molar mass | 242.24 g/mol |
| Monoisotopic mass | 242.07430781 g/mol |
| SMILES | O=C(c1ccccc1)C1OC1c1ccc(F)cc1 |
| InChIKey | JSNXRAUQMWIZHM-UHFFFAOYSA-N |
| PubChem CID | 162531 |
| ChEMBL | CHEMBL3661416 |
| DTXSID | DTXSID20962737 |
Chemical & Physical Properties
| XLogP | 2.9 |
|---|---|
| Topological polar surface area | 29.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 304 |
| Boiling point | 372.010±42.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.277±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |