Base information
| Cat. No. | |
| CAS No. | 1233-53-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C15H16I3NO3 |
| Molecular Weight | 639.006 |
| Exact Mass | 638.826 |
| XLogP3 | 5.19 |
| Mr | 114.803 |
| PSA | 66.4 |
| Sequence | - |
| Atom number | 38 |
| Bond number | 38 |
| Ring number | 1 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | CCCC(=O)Nc1c(I)cc(c(c1I)C=C(C(=O)O)CC)I |
