Base information
| Cat. No. | |
| CAS No. | 1041026-55-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H16BrNO3S |
| Molecular Weight | 334.229 |
| Exact Mass | 333.003 |
| XLogP3 | 2.3916 |
| Mr | 77.1988 |
| PSA | 65.99 |
| Sequence | - |
| Atom number | 34 |
| Bond number | 35 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OCC1(CBr)CN(C1)S(=O)(=O)c1ccc(cc1)C |
