Base information
| Cat. No. | |
| CAS No. | 50868-68-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H5BrO2S |
| Molecular Weight | 233.082 |
| Exact Mass | 231.919 |
| XLogP3 | 2.6084 |
| Mr | 48.6888 |
| PSA | 65.54 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC(=O)/C=C/c1ccc(s1)Br |
