Base information
| Cat. No. | |
| CAS No. | 1386986-06-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7ClN2O |
| Molecular Weight | 182.607 |
| Exact Mass | 182.025 |
| XLogP3 | 1.75308 |
| Mr | 44.82 |
| PSA | 45.91 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COCc1cc(Cl)cnc1C#N |
