Base information
| Cat. No. | |
| CAS No. | 849345-42-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5ClN2O |
| Molecular Weight | 180.591 |
| Exact Mass | 180.009 |
| XLogP3 | 1.9888 |
| Mr | 46.571 |
| PSA | 46.01 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 18 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Oc1ccc2c(c1)ncnc2Cl |
