Base information
| Cat. No. | |
| CAS No. | 1168102-35-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5ClN2O2 |
| Molecular Weight | 196.59 |
| Exact Mass | 196.004 |
| XLogP3 | 1.39328 |
| Mr | 45.2415 |
| PSA | 62.98 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1ccnc(c1Cl)C#N |
