Base information
| Cat. No. | |
| CAS No. | 68257-90-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6BrNO2S |
| Molecular Weight | 248.097 |
| Exact Mass | 246.93 |
| XLogP3 | 2.1249 |
| Mr | 50.4784 |
| PSA | 88.4 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | NC(=O)c1ccc(s1)C(=O)CBr |
