HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
2-bromo-N-[3-(trifluoromethyl)phenyl]benzamide · Benzamide, 2-bromo-N-[3-(trifluoromethyl)phenyl]-
![2-bromo-N-[3-(trifluoromethyl)phenyl]benzamide molecular structure](/img/chemical/771663.png)
Identifiers & Physical Properties
| CAS No. | 2946-72-7 |
|---|---|
| Molecular formula | C14H9BrF3NO |
| Average molar mass | 344.13 g/mol |
| Monoisotopic mass | 342.98196 g/mol |
| SMILES | O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1Br |
| InChIKey | CICQVRULEXWWCJ-UHFFFAOYSA-N |
| PubChem CID | 771663 |
| DTXSID | DTXSID201247132 |
Chemical & Physical Properties
| XLogP | 4.3 |
|---|---|
| Topological polar surface area | 29.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 348 |
| Melting point | 121-122 °C |
| Boiling point | 311.4±42.0 °C(Predicted) |
| Density | 1.578±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 12.21±0.70(Predicted) |