Base information
| Cat. No. | |
| CAS No. | 1000341-19-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6BrIN2O |
| Molecular Weight | 352.955 |
| Exact Mass | 351.871 |
| XLogP3 | 2.9386 |
| Mr | 63.0027 |
| PSA | 37.91 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1nc(Br)cc2c1c(I)c[nH]2 |
