Base information
| Cat. No. | |
| CAS No. | 28179-44-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H11I3N2O5 |
| Molecular Weight | 643.94 |
| Exact Mass | 643.78 |
| XLogP3 | 2.343 |
| Mr | 104.83 |
| PSA | 115.73 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 33 |
| Ring number | 1 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | OCCNC(=O)c1c(I)c(NC(=O)C)c(c(c1I)C(=O)O)I |
