Base information
| Cat. No. | |
| CAS No. | 1017049-01-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H9ClN2O2 |
| Molecular Weight | 248.665 |
| Exact Mass | 248.035 |
| XLogP3 | 2.77708 |
| Mr | 64.452 |
| PSA | 55.14 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 27 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1cc(OC)c2c(c1)c(Cl)c(cn2)C#N |
