HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Chlorobicyclo[2.2.0]hexane-1,2,4-tricarbonitrile
![2-Chlorobicyclo[2.2.0]hexane-1,2,4-tricarbonitrile molecular structure](/img/chemical/12374571.png)
Identifiers & Physical Properties
| CAS No. | 62198-08-7 |
|---|---|
| Molecular formula | C9H6ClN3 |
| Average molar mass | 191.62 g/mol |
| Monoisotopic mass | 191.0250249 g/mol |
| SMILES | N#CC1(Cl)CC2(C#N)CCC12C#N |
| InChIKey | WWWBFXMRLIMIAU-UHFFFAOYSA-N |
| PubChem CID | 12374571 |
| DTXSID | DTXSID101214825 |
Chemical & Physical Properties
| XLogP | 0.2 |
|---|---|
| Topological polar surface area | 71.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 430 |