HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Bromo-4-[(3-methylbutoxy)methyl]benzene
![1-Bromo-4-[(3-methylbutoxy)methyl]benzene molecular structure](/img/chemical/58452284.png)
Identifiers & Physical Properties
| Molecular formula | C12H17BrO |
|---|---|
| Average molar mass | 257.17 g/mol |
| SMILES | CC(C)CCOCc1ccc(Br)cc1 |
| InChIKey | MBFYPCJMUGTYEY-UHFFFAOYSA-N |
| PubChem CID | 58452284 |
Chemical & Physical Properties
| XLogP | 4 |
|---|---|
| Topological polar surface area | 9.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 5 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 139 |