HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(3-Chlorophenyl)-2-(4-pyridyl)ethanone

Identifiers & Physical Properties
| CAS No. | 125996-70-5 |
|---|---|
| Molecular formula | C13H10ClNO |
| Average molar mass | 231.68 g/mol |
| Monoisotopic mass | 231.0450916 g/mol |
| SMILES | O=C(Cc1ccncc1)c1cccc(Cl)c1 |
| InChIKey | CCSXLEIWYLIMED-UHFFFAOYSA-N |
| PubChem CID | 11368245 |
| DTXSID | DTXSID50463762 |
Chemical & Physical Properties
| XLogP | 2.8 |
|---|---|
| Topological polar surface area | 30 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 238 |