Base information
| Cat. No. | |
| CAS No. | 476622-89-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H4BrIN2O |
| Molecular Weight | 314.907 |
| Exact Mass | 313.855 |
| XLogP3 | 1.8523 |
| Mr | 48.941 |
| PSA | 35.01 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 14 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1nc(Br)cnc1I |
