Base information
| Cat. No. | |
| CAS No. | 677777-44-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6INO |
| Molecular Weight | 259.044 |
| Exact Mass | 258.949 |
| XLogP3 | 2.17148 |
| Mr | 50.366 |
| PSA | 33.02 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cc(I)ccc1C#N |
