Base information
| Cat. No. | |
| CAS No. | 459133-69-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H12IN3O4 |
| Molecular Weight | 389.146 |
| Exact Mass | 388.987 |
| XLogP3 | 3.8555 |
| Mr | 83.474 |
| PSA | 89.94 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 33 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | [O-][N+](=O)c1ccc2c(c1)c(I)nn2C(=O)OC(C)(C)C |
