Base information
| Cat. No. | |
| CAS No. | 78876-52-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H9ClOS |
| Molecular Weight | 248.728 |
| Exact Mass | 248.006 |
| XLogP3 | 2.0741 |
| Mr | 68.3438 |
| PSA | 48.47 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 25 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CC#Cc1ccc(s1)C#CC#CC(CCl)O |
