HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Chloro-4,7-diphenylcyclohepta-2,4,6-trien-1-one
Identifiers & Physical Properties
| CAS No. | 65961-18-4 |
|---|---|
| Molecular formula | C19H13ClO |
| Average molar mass | 292.8 g/mol |
| Monoisotopic mass | 292.0654927 g/mol |
| SMILES | O=c1c(Cl)cc(-c2ccccc2)ccc1-c1ccccc1 |
| InChIKey | VFCWUGMXMOTUDR-UHFFFAOYSA-N |
| PubChem CID | 12374074 |
| DTXSID | DTXSID80494983 |
Chemical & Physical Properties
| XLogP | 5.2 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 2 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 486 |