Base information
| Cat. No. | |
| CAS No. | 115666-46-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8IN |
| Molecular Weight | 245.06 |
| Exact Mass | 244.97 |
| XLogP3 | 2.3972 |
| Mr | 54.2517 |
| PSA | 12.03 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Ic1ccc2c(c1)NCC2 |