Base information
| Cat. No. | |
| CAS No. | 848093-36-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H9IN2O2 |
| Molecular Weight | 292.074 |
| Exact Mass | 291.971 |
| XLogP3 | 2.0263 |
| Mr | 57.4449 |
| PSA | 65.21 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1cc(I)cnc1N |
