Base information
| Cat. No. | |
| CAS No. | 112110-44-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H13BrS |
| Molecular Weight | 257.19 |
| Exact Mass | 255.992 |
| XLogP3 | 4.2225 |
| Mr | 63.019 |
| PSA | 25.3 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 27 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Brc1ccc2c(c1)C(C)(C)CCS2 |
