Base information
| Cat. No. | |
| CAS No. | 179536-52-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6INO |
| Molecular Weight | 259.044 |
| Exact Mass | 258.949 |
| XLogP3 | 1.9238 |
| Mr | 54.4517 |
| PSA | 29.1 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 18 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=C1Nc2c(C1)c(I)ccc2 |
