Base information
| Cat. No. | |
| CAS No. | 850363-55-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H15IN2O4 |
| Molecular Weight | 402.184 |
| Exact Mass | 402.008 |
| XLogP3 | 3.2107 |
| Mr | 85.9315 |
| PSA | 70.42 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 37 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1nn(c2c1cc(I)cc2)C(=O)OC(C)(C)C |
