Base information
| Cat. No. | |
| CAS No. | 1134328-05-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6IN3O |
| Molecular Weight | 275.047 |
| Exact Mass | 274.956 |
| XLogP3 | 1.5711 |
| Mr | 53.0977 |
| PSA | 50.8 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1ccc2c(n1)c(I)n[nH]2 |
