Base information
| Cat. No. | |
| CAS No. | 439117-38-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6ClNO2 |
| Molecular Weight | 195.602 |
| Exact Mass | 195.009 |
| XLogP3 | 1.99828 |
| Mr | 47.4465 |
| PSA | 50.09 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1cc(Cl)ccc1C#N |
