Base information
| Cat. No. | |
| CAS No. | 16066-91-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6IN |
| Molecular Weight | 243.044 |
| Exact Mass | 242.954 |
| XLogP3 | 2.7725 |
| Mr | 51.0157 |
| PSA | 15.79 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 17 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Ic1ccc2c(c1)cc[nH]2 |