Base information
| Cat. No. | |
| CAS No. | 13735-16-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7BrOS |
| Molecular Weight | 243.12 |
| Exact Mass | 241.94 |
| XLogP3 | 3.1276 |
| Mr | 53.9435 |
| PSA | 42.37 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Brc1ccc2c(c1)SCCC2=O |
