Base information
| Cat. No. | |
| CAS No. | 176433-57-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H8ClNO |
| Molecular Weight | 217.651 |
| Exact Mass | 217.029 |
| XLogP3 | 3.2145 |
| Mr | 60.0705 |
| PSA | 29.96 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 24 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=Cc1cc(cnc1Cl)c1ccccc1 |
