Base information
| Cat. No. | |
| CAS No. | 111873-07-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H9BrS |
| Molecular Weight | 217.126 |
| Exact Mass | 215.961 |
| XLogP3 | 3.3894 |
| Mr | 49.451 |
| PSA | 28.24 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Brc1cc2c(s1)CCCC2 |
