Base information
| Cat. No. | |
| CAS No. | 556112-23-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7ClO |
| Molecular Weight | 166.604 |
| Exact Mass | 166.019 |
| XLogP3 | 2.3299 |
| Mr | 45.879 |
| PSA | 9.23 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cc(C#C)cc(c1)Cl |
