HuagongsheHuagongshe Chemistry Print Report · For research reference only
(3-Bromo-5,7-dimethyladamantan-1-yl)acetic acid
Identifiers & Physical Properties
| CAS No. | 17768-38-6 |
|---|---|
| Molecular formula | C14H21BrO2 |
| Average molar mass | 301.22 g/mol |
| Monoisotopic mass | 300.07249 g/mol |
| SMILES | CC12CC3(C)CC(Br)(C1)CC(CC(=O)O)(C2)C3 |
| InChIKey | JTWBWJGBCFGGOI-UHFFFAOYSA-N |
| PubChem CID | 20537980 |
| DTXSID | DTXSID001184768 |
Chemical & Physical Properties
| XLogP | 3.8 |
|---|---|
| Topological polar surface area | 37.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 372 |