HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzenemethanol, 4-(2-bromoethoxy)-3-methoxy-
Identifiers & Physical Properties
| CAS No. | 98688-19-8 |
|---|---|
| Molecular formula | C10H13BrO3 |
| Average molar mass | 261.11 g/mol |
| Monoisotopic mass | 260.00481 g/mol |
| SMILES | COc1cc(CO)ccc1OCCBr |
| InChIKey | UCKNRFXCSJEJTQ-UHFFFAOYSA-N |
| PubChem CID | 11368990 |
| DTXSID | DTXSID00463813 |
Chemical & Physical Properties
| XLogP | 1.7 |
|---|---|
| Topological polar surface area | 38.7 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 5 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 154 |