Base information
| Cat. No. | |
| CAS No. | 188586-66-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12INO |
| Molecular Weight | 277.102 |
| Exact Mass | 276.996 |
| XLogP3 | 1.8536 |
| Mr | 57.6082 |
| PSA | 46.25 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OCC(Cc1ccc(cc1)I)N |
