Base information
| Cat. No. | |
| CAS No. | 28122-76-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7BrOS |
| Molecular Weight | 231.11 |
| Exact Mass | 229.94 |
| XLogP3 | 3.0877 |
| Mr | 50.87 |
| PSA | 42.37 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(=O)Sc1ccc(cc1)Br |
