Base information
| Cat. No. | |
| CAS No. | 51628-12-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6IN |
| Molecular Weight | 243.044 |
| Exact Mass | 242.954 |
| XLogP3 | 2.35728 |
| Mr | 48.681 |
| PSA | 23.79 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#CCc1ccc(cc1)I |
