Base information
| Cat. No. | |
| CAS No. | 74159-80-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8ClNO4S |
| Molecular Weight | 249.671 |
| Exact Mass | 248.986 |
| XLogP3 | 3.6458 |
| Mr | 58.175 |
| PSA | 88.34 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])Cl |
