Base information
| Cat. No. | |
| CAS No. | 1209459-95-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6BrNO2S |
| Molecular Weight | 236.086 |
| Exact Mass | 234.93 |
| XLogP3 | 2.3284 |
| Mr | 45.031 |
| PSA | 55.41 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Brc1cccnc1S(=O)(=O)C |
