Base information
| Cat. No. | |
| CAS No. | 289470-22-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H3IN2 |
| Molecular Weight | 230.006 |
| Exact Mass | 229.934 |
| XLogP3 | 1.55788 |
| Mr | 41.669 |
| PSA | 36.68 |
| Sequence | - |
| Atom number | 12 |
| Bond number | 12 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#Cc1ccc(nc1)I |
