Base information
| Cat. No. | |
| CAS No. | 388613-52-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8I2O2 |
| Molecular Weight | 401.968 |
| Exact Mass | 401.861 |
| XLogP3 | 3.0725 |
| Mr | 67.9625 |
| PSA | 26.3 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1cc(I)cc(c1)I |
