HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 3-(bromomethyl)-5-tert-butylthiophene-2-carboxylate
Identifiers & Physical Properties
| CAS No. | 1361386-46-0 |
|---|---|
| Molecular formula | C11H15BrO2S |
| Average molar mass | 291.21 g/mol |
| Monoisotopic mass | 289.99761282 g/mol |
| SMILES | COC(=O)c1sc(C(C)(C)C)cc1CBr |
| InChIKey | KDLLDSDZHKCIKW-UHFFFAOYSA-N |
| PubChem CID | 66610052 |
| DTXSID | DTXSID701135186 |
Chemical & Physical Properties
| XLogP | 4.1 |
|---|---|
| Topological polar surface area | 54.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 237 |