Base information
| Cat. No. | |
| CAS No. | 1227515-15-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H8INO |
| Molecular Weight | 249.049 |
| Exact Mass | 248.965 |
| XLogP3 | 2.0032 |
| Mr | 48.412 |
| PSA | 22.12 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1nccc(c1I)C |
