Base information
| Cat. No. | |
| CAS No. | 1000341-12-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6IN3O3 |
| Molecular Weight | 319.056 |
| Exact Mass | 318.945 |
| XLogP3 | 2.6075 |
| Mr | 64.1247 |
| PSA | 83.73 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | [O-][N+](=O)c1cc(OC)cc2c1c(I)n[nH]2 |
