Base information
| Cat. No. | |
| CAS No. | 151059-43-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H12IN |
| Molecular Weight | 249.092 |
| Exact Mass | 249.001 |
| XLogP3 | 2.8863 |
| Mr | 54.0544 |
| PSA | 26.02 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | NCCc1ccccc1.I |
