Base information
| Cat. No. | |
| CAS No. | 1000342-51-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6BrIN2 |
| Molecular Weight | 336.955 |
| Exact Mass | 335.876 |
| XLogP3 | 3.2384 |
| Mr | 61.4767 |
| PSA | 28.68 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Brc1cc2[nH]nc(c2cc1C)I |
