Base information
| Cat. No. | |
| CAS No. | 391210-00-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H13BrF3IN2O4 |
| Molecular Weight | 561.089 |
| Exact Mass | 559.906 |
| XLogP3 | 3.6931 |
| Mr | 102.296 |
| PSA | 90.82 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 41 |
| Ring number | 2 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | OCC(CONC(=O)c1cc(Br)c(c(c1Nc1ccc(cc1F)I)F)F)O |
