Base information
| Cat. No. | |
| CAS No. | 1261791-90-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6ClNO3S |
| Molecular Weight | 231.656 |
| Exact Mass | 230.976 |
| XLogP3 | 2.57518 |
| Mr | 50.732 |
| PSA | 75.54 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1cc(C#N)ccc1S(=O)(=O)Cl |
