Base information
| Cat. No. | |
| CAS No. | 606-55-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H14IN |
| Molecular Weight | 299.151 |
| Exact Mass | 299.017 |
| XLogP3 | -0.5404 |
| Mr | 71.332 |
| PSA | 3.88 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 28 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CC[n+]1c(C)ccc2c1cccc2.[I-] |
