HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(4-Bromobenzoyl)cyclohexane-1-carboxylic acid
Identifiers & Physical Properties
| Molecular formula | C14H15BrO3 |
|---|---|
| Average molar mass | 311.17 g/mol |
| SMILES | O=C(O)C1CCCC(C(=O)c2ccc(Br)cc2)C1 |
| InChIKey | YPSVTIOENMFRPI-UHFFFAOYSA-N |
| PubChem CID | 21985708 |
Chemical & Physical Properties
| XLogP | 3.2 |
|---|---|
| Topological polar surface area | 54.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 321 |