HuagongsheHuagongshe Chemistry Print Report · For research reference only
4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-6-methyl-
Identifiers & Physical Properties
| CAS No. | 89112-88-9 |
|---|---|
| Molecular formula | C16H11ClO2 |
| Average molar mass | 270.71 g/mol |
| Monoisotopic mass | 270.0447573 g/mol |
| SMILES | Cc1ccc2oc(-c3ccccc3Cl)cc(=O)c2c1 |
| InChIKey | OUZCZZYDKJMPPN-UHFFFAOYSA-N |
| PubChem CID | 688981 |
| ChEMBL | CHEMBL2234619 |
| DTXSID | DTXSID00351004 |
Chemical & Physical Properties
| XLogP | 4.6 |
|---|---|
| Topological polar surface area | 26.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 390 |