Base information
| Cat. No. | |
| CAS No. | 698-70-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H10IN |
| Molecular Weight | 247.076 |
| Exact Mass | 246.986 |
| XLogP3 | 2.3572 |
| Mr | 53.366 |
| PSA | 3.24 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CN(c1ccc(cc1)I)C |
