Base information
| Cat. No. | |
| CAS No. | 3463-33-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H5ClO |
| Molecular Weight | 164.588 |
| Exact Mass | 164.003 |
| XLogP3 | 2.1559 |
| Mr | 44.6155 |
| PSA | 17.07 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | C#CC(=O)c1ccccc1Cl |
