Base information
| Cat. No. | |
| CAS No. | 852054-42-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H5BrO3S |
| Molecular Weight | 249.082 |
| Exact Mass | 247.914 |
| XLogP3 | 2.0943 |
| Mr | 48.2765 |
| PSA | 63.77 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 18 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=Cc1sc(c2c1OCCO2)Br |
