HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Bromo-7-tert-butyl-2-methyl-benzo[b]thiophene
![3-Bromo-7-tert-butyl-2-methyl-benzo[b]thiophene molecular structure](/img/chemical/68856422.png)
Identifiers & Physical Properties
| Molecular formula | C13H15BrS |
|---|---|
| Average molar mass | 283.23 g/mol |
| Monoisotopic mass | 282.00778 g/mol |
| SMILES | Cc1sc2c(C(C)(C)C)cccc2c1Br |
| InChIKey | FMWQQZNSIQJBHW-UHFFFAOYSA-N |
| PubChem CID | 68856422 |
Chemical & Physical Properties
| XLogP | 5.7 |
|---|---|
| Topological polar surface area | 28.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 233 |