Base information
| Cat. No. | |
| CAS No. | 5418-63-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H16IN |
| Molecular Weight | 301.167 |
| Exact Mass | 301.033 |
| XLogP3 | -0.3247 |
| Mr | 76.017 |
| PSA | 3.01 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 30 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | C[N+]1=C(C)C(c2c1cccc2)(C)C.[I-] |
