Base information
| Cat. No. | |
| CAS No. | 603940-91-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H8BrNO2S |
| Molecular Weight | 250.113 |
| Exact Mass | 248.946 |
| XLogP3 | 2.1653 |
| Mr | 51.0782 |
| PSA | 91.56 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | NC(C(=O)O)Cc1ccc(s1)Br |
