Base information
| Cat. No. | |
| CAS No. | 1206544-88-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H6BrIS |
| Molecular Weight | 389.05 |
| Exact Mass | 387.842 |
| XLogP3 | 5.4216 |
| Mr | 79.748 |
| PSA | 28.24 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 23 |
| Ring number | 3 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Brc1ccc2c(c1)c1cc(I)ccc1s2 |
