HuagongsheHuagongshe Chemistry Print Report · For research reference only
6-chloro-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carbonitrile
Identifiers & Physical Properties
| Molecular formula | C12H8ClNO2 |
|---|---|
| Average molar mass | 233.65 g/mol |
| SMILES | Cc1cc2oc(C#N)cc(=O)c2c(C)c1Cl |
| InChIKey | HCMMVAMWUTWLJS-UHFFFAOYSA-N |
| PubChem CID | 21392600 |
Chemical & Physical Properties
| XLogP | 2.8 |
|---|---|
| Topological polar surface area | 50.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 395 |