Base information
| Cat. No. | |
| CAS No. | 36913-39-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H12IN |
| Molecular Weight | 297.135 |
| Exact Mass | 297.001 |
| XLogP3 | -0.8179 |
| Mr | 69.489 |
| PSA | 3.88 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 26 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | C[n+]1ccc(cc1)c1ccccc1.[I-] |
