Base information
| Cat. No. | |
| CAS No. | 76542-19-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H11BrS |
| Molecular Weight | 231.153 |
| Exact Mass | 229.976 |
| XLogP3 | 3.9512 |
| Mr | 55.477 |
| PSA | 25.3 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCCSc1ccc(cc1)Br |
