Base information
| Cat. No. | |
| CAS No. | 36880-34-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7BrOS |
| Molecular Weight | 219.099 |
| Exact Mass | 217.94 |
| XLogP3 | 2.8855 |
| Mr | 47.1795 |
| PSA | 45.31 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CCc1sc(cc1Br)C=O |
