HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(Benzyloxy)-3'-chloro[1,1'-biphenyl]-3-carbaldehyde
AKOS BAR-0962 · 4-(BENZYLOXY)-3'-CHLORO[1,1'-BIPHENYL]-3-CARBALDEHYDE · [1,1′-Biphenyl]-3-carboxaldehyde, 3′-chloro-4-(phenylmethoxy)-
![4-(Benzyloxy)-3'-chloro[1,1'-biphenyl]-3-carbaldehyde molecular structure](/img/chemical/178717618.png)
Identifiers & Physical Properties
| CAS No. | 893735-41-6 |
|---|---|
| Molecular formula | C20H15ClO2 |
| Average molar mass | 322.8 g/mol |
| Monoisotopic mass | 322.0760574 g/mol |
| SMILES | O=Cc1cc(-c2cccc(Cl)c2)ccc1OCc1ccccc1 |
| InChIKey | XHEJMCLLJDKGEA-UHFFFAOYSA-N |
| PubChem CID | 20099876 |
Chemical & Physical Properties
| XLogP | 5.1 |
|---|---|
| Topological polar surface area | 26.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 5 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 367 |
| Boiling point | 501.206±50.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.227±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |