Base information
| Cat. No. | |
| CAS No. | 78876-53-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H7ClOS |
| Molecular Weight | 234.701 |
| Exact Mass | 233.991 |
| XLogP3 | 1.684 |
| Mr | 63.5368 |
| PSA | 48.47 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | ClCC(C#CC#Cc1ccc(s1)C#C)O |
