Base information
| Cat. No. | |
| CAS No. | 757978-19-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H8BrIN2O2S |
| Molecular Weight | 463.088 |
| Exact Mass | 461.853 |
| XLogP3 | 4.7212 |
| Mr | 89.22 |
| PSA | 60.34 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 30 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Brc1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccccc1 |
