Base information
| Cat. No. | |
| CAS No. | 161489-05-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H5IN2O |
| Molecular Weight | 236.01 |
| Exact Mass | 235.945 |
| XLogP3 | 1.0898 |
| Mr | 41.241 |
| PSA | 35.01 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 14 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cc(I)ncn1 |
