HuagongsheHuagongshe Chemistry Print Report · For research reference only
I+/-,4-Dibromobenzenepropanenitrile
Identifiers & Physical Properties
| CAS No. | 62448-28-6 |
|---|---|
| Molecular formula | C9H7Br2N |
| Average molar mass | 288.97 g/mol |
| Monoisotopic mass | 286.89452 g/mol |
| SMILES | N#CC(Br)Cc1ccc(Br)cc1 |
| InChIKey | RBQDSCAJIAFOTB-UHFFFAOYSA-N |
| PubChem CID | 12375022 |
| DTXSID | DTXSID401302057 |
Chemical & Physical Properties
| XLogP | 3.5 |
|---|---|
| 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 |