Base information
| Cat. No. | |
| CAS No. | 118621-30-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H11BrS |
| Molecular Weight | 315.228 |
| Exact Mass | 313.976 |
| XLogP3 | 5.8446 |
| Mr | 82.891 |
| PSA | 28.24 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 31 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Brc1ccc(cc1)c1ccc(s1)c1ccccc1 |
