HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(3-Bromobenzoyl)-3-phenylaminoacrylonitrile
Identifiers & Physical Properties
| Molecular formula | C16H11BrN2O |
|---|---|
| Average molar mass | 327.17 g/mol |
| SMILES | N#CC(=CNc1ccccc1)C(=O)c1cccc(Br)c1 |
| InChIKey | WQMCIPCJADGHGQ-UHFFFAOYSA-N |
| PubChem CID | 69686607 |
Chemical & Physical Properties
| XLogP | 4.6 |
|---|---|
| Topological polar surface area | 52.9 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 417 |