Base information
| Cat. No. | |
| CAS No. | 80485-53-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7BrS |
| Molecular Weight | 215.11 |
| Exact Mass | 213.945 |
| XLogP3 | 3.6448 |
| Mr | 50.366 |
| PSA | 25.3 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | BrC(=C)Sc1ccccc1 |
