Base information
| Cat. No. | |
| CAS No. | 78079-08-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H9BrO3S |
| Molecular Weight | 313.167 |
| Exact Mass | 311.946 |
| XLogP3 | 4.4436 |
| Mr | 69.4368 |
| PSA | 62.75 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 27 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Brc1ccc(cc1)c1ccc(cc1)S(=O)(=O)O |
