HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Chloro-3-(4-chlorophenyl)propanenitrile
Identifiers & Physical Properties
| CAS No. | 17849-64-8 |
|---|---|
| Molecular formula | C9H7Cl2N |
| Average molar mass | 200.06 g/mol |
| Monoisotopic mass | 198.9955546 g/mol |
| SMILES | N#CC(Cl)Cc1ccc(Cl)cc1 |
| InChIKey | HOMTWGUIQUDIKT-UHFFFAOYSA-N |
| PubChem CID | 28811 |
| DTXSID | DTXSID40274864 |
Chemical & Physical Properties
| XLogP | 3.2 |
|---|---|
| Topological polar surface area | 23.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 2 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 176 |