Base information
| Cat. No. | |
| CAS No. | 14561-93-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H10ClNO2 |
| Molecular Weight | 235.666 |
| Exact Mass | 235.04 |
| XLogP3 | 2.81008 |
| Mr | 61.805 |
| PSA | 50.09 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 26 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)C(=Cc1ccccc1Cl)C#N |
