Base information
| Cat. No. | |
| CAS No. | 1221288-25-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6IN3O2 |
| Molecular Weight | 303.057 |
| Exact Mass | 302.95 |
| XLogP3 | 1.3491 |
| Mr | 57.8852 |
| PSA | 67.87 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1cc2c(I)n[nH]c2nc1 |
