Base information
| Cat. No. | |
| CAS No. | 853331-52-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6ClNO |
| Molecular Weight | 167.592 |
| Exact Mass | 167.014 |
| XLogP3 | 2.22028 |
| Mr | 42.659 |
| PSA | 33.02 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cccc(c1Cl)C#N |
