Base information
| Cat. No. | |
| CAS No. | 1106295-93-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H4ClN3O |
| Molecular Weight | 169.568 |
| Exact Mass | 169.004 |
| XLogP3 | 1.01028 |
| Mr | 38.249 |
| PSA | 58.8 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 15 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1nc(Cl)ncc1C#N |
