Base information
| Cat. No. | |
| CAS No. | 1000343-52-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9IN2O |
| Molecular Weight | 288.085 |
| Exact Mass | 287.976 |
| XLogP3 | 2.4845 |
| Mr | 60.2687 |
| PSA | 37.91 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 23 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cc2c(I)n[nH]c2cc1C |
