Base information
| Cat. No. | |
| CAS No. | 1456-52-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H14I3NO3 |
| Molecular Weight | 612.969 |
| Exact Mass | 612.811 |
| XLogP3 | 3.8904 |
| Mr | 104.966 |
| PSA | 57.61 |
| Sequence | - |
| Atom number | 34 |
| Bond number | 34 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CCN(c1c(I)cc(c(c1I)CCC(=O)O)I)C(=O)C |
