HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzene, 1-bromo-4-[(2-tridecynyloxy)methyl]-
![Benzene, 1-bromo-4-[(2-tridecynyloxy)methyl]- molecular structure](/img/chemical/10690184.png)
Identifiers & Physical Properties
| CAS No. | 184089-58-5 |
|---|---|
| Molecular formula | C20H29BrO |
| Average molar mass | 365.3 g/mol |
| Monoisotopic mass | 364.14018 g/mol |
| SMILES | CCCCCCCCCCC#CCOCc1ccc(Br)cc1 |
| InChIKey | BQBBCEDNXRXIMS-UHFFFAOYSA-N |
| PubChem CID | 10690184 |
| DTXSID | DTXSID30443582 |
Chemical & Physical Properties
| XLogP | 7.7 |
|---|---|
| Topological polar surface area | 9.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 11 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 306 |