Base information
| Cat. No. | |
| CAS No. | 125464-42-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12ClNO3S |
| Molecular Weight | 249.714 |
| Exact Mass | 249.023 |
| XLogP3 | 3.0512 |
| Mr | 59.2752 |
| PSA | 88.77 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 27 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | NCC(c1ccc(cc1)Cl)CS(=O)(=O)O |
