Base information
| Cat. No. | |
| CAS No. | 216853-60-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H18BrNO4S |
| Molecular Weight | 400.287 |
| Exact Mass | 399.014 |
| XLogP3 | 3.4102 |
| Mr | 97.9466 |
| PSA | 106.08 |
| Sequence | - |
| Atom number | 41 |
| Bond number | 42 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CN1C2CCC1C=C(C2)c1sccc1Br.OC(=O)/C=C/C(=O)O |
