Base information
| Cat. No. | |
| CAS No. | 21320-91-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6ClNO5S |
| Molecular Weight | 251.644 |
| Exact Mass | 250.966 |
| XLogP3 | 3.1349 |
| Mr | 54.839 |
| PSA | 97.57 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1cc(ccc1S(=O)(=O)Cl)[N+](=O)[O-] |
