Base information
| Cat. No. | |
| CAS No. | 336625-21-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H18F3IO5 |
| Molecular Weight | 498.232 |
| Exact Mass | 498.015 |
| XLogP3 | 2.9184 |
| Mr | 97.6296 |
| PSA | 75.99 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 47 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | O=C1O[C@@H]2[C@H](C1)[C@H]([C@@H](C2)O)/C=C/C(COc1cc(ccc1I)C(F)(F)F)O |
