Base information
| Cat. No. | |
| CAS No. | 1310949-50-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H7IN2O |
| Molecular Weight | 250.037 |
| Exact Mass | 249.96 |
| XLogP3 | 1.8582 |
| Mr | 47.8504 |
| PSA | 48.14 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1nc(I)ccc1N |
