Base information
| Cat. No. | |
| CAS No. | 85-36-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6I3NO3 |
| Molecular Weight | 556.862 |
| Exact Mass | 556.748 |
| XLogP3 | 3.23 |
| Mr | 85.865 |
| PSA | 66.4 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CC(=O)Nc1c(I)cc(c(c1I)C(=O)O)I |
