Base information
| Cat. No. | |
| CAS No. | 53641-60-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H9ClN2 |
| Molecular Weight | 168.623 |
| Exact Mass | 168.045 |
| XLogP3 | 2.71228 |
| Mr | 45.6364 |
| PSA | 49.81 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | NC(c1ccccc1)C#N.Cl |
