Base information
| Cat. No. | |
| CAS No. | 16879-40-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H7IN2 |
| Molecular Weight | 234.038 |
| Exact Mass | 233.965 |
| XLogP3 | 1.698 |
| Mr | 44.681 |
| PSA | 25.78 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cc1cc(C)nc(n1)I |
