Base information
| Cat. No. | |
| CAS No. | 121643-46-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H5ClN2O |
| Molecular Weight | 168.58 |
| Exact Mass | 168.009 |
| XLogP3 | 1.61528 |
| Mr | 40.454 |
| PSA | 45.91 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1nc(Cl)ccc1C#N |
