Base information
| Cat. No. | |
| CAS No. | 28547-33-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H17ClO |
| Molecular Weight | 224.726 |
| Exact Mass | 224.097 |
| XLogP3 | 3.7957 |
| Mr | 65.5095 |
| PSA | 17.07 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 32 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | ClCCC(=O)c1ccc(cc1)C(C)(C)C |
