Base information
| Cat. No. | |
| CAS No. | 6613-44-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9ClO |
| Molecular Weight | 168.62 |
| Exact Mass | 168.034 |
| XLogP3 | 2.6824 |
| Mr | 46.5575 |
| PSA | 17.07 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | ClC(=O)c1cc(C)cc(c1)C |
