Base information
| Cat. No. | |
| CAS No. | 40108-12-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H9ClN2O2 |
| Molecular Weight | 224.644 |
| Exact Mass | 224.035 |
| XLogP3 | 2.09178 |
| Mr | 55.0145 |
| PSA | 62.98 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1cc(C)nc(c1C#N)Cl |
