Base information
| Cat. No. | |
| CAS No. | 1436504-94-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7ClN2O2 |
| Molecular Weight | 210.617 |
| Exact Mass | 210.02 |
| XLogP3 | 1.78338 |
| Mr | 50.0485 |
| PSA | 62.98 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1nc(ccc1Cl)C#N |
