Base information
| Cat. No. | |
| CAS No. | 66949-29-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H8ClNO4S |
| Molecular Weight | 309.725 |
| Exact Mass | 308.986 |
| XLogP3 | 4.6208 |
| Mr | 77.7983 |
| PSA | 108.42 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 29 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | Clc1ccc(cc1)Sc1ccc(cc1C(=O)O)[N+](=O)[O-] |
