Base information
| Cat. No. | |
| CAS No. | 800402-05-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H12ClIN2O |
| Molecular Weight | 338.573 |
| Exact Mass | 337.968 |
| XLogP3 | 3.3972 |
| Mr | 70.4377 |
| PSA | 41.99 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 27 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=C(C(C)(C)C)Nc1nc(Cl)ccc1I |
