Base information
| Cat. No. | |
| CAS No. | 606129-89-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H9I2NO |
| Molecular Weight | 461.036 |
| Exact Mass | 460.877 |
| XLogP3 | 4.6638 |
| Mr | 91.3685 |
| PSA | 22 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 29 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CC(=O)n1c2ccc(cc2c2c1ccc(c2)I)I |
