Base information
| Cat. No. | |
| CAS No. | 115-40-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H16Br2O5S |
| Molecular Weight | 540.222 |
| Exact Mass | 537.909 |
| XLogP3 | 6.3312 |
| Mr | 116.901 |
| PSA | 92.21 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 48 |
| Ring number | 4 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Cc1cc(cc(c1O)Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(c(c1)Br)O |
