HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(2-Chlorophenyl)bicyclo[2.2.2]oct-5-ene-2-carbonitrile
![3-(2-Chlorophenyl)bicyclo[2.2.2]oct-5-ene-2-carbonitrile molecular structure](/img/chemical/20161613.png)
Identifiers & Physical Properties
| CAS No. | 62373-81-3 |
|---|---|
| Molecular formula | C15H14ClN |
| Average molar mass | 243.73 g/mol |
| Monoisotopic mass | 243.0814771 g/mol |
| SMILES | N#CC1C2C=CC(CC2)C1c1ccccc1Cl |
| InChIKey | UEKCKUKRNJWUPM-UHFFFAOYSA-N |
| PubChem CID | 20161613 |
| DTXSID | DTXSID90603160 |
Chemical & Physical Properties
| XLogP | 3.9 |
|---|---|
| Topological polar surface area | 23.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 366 |