Base information
| Cat. No. | |
| CAS No. | 214337-39-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6BrNOS |
| Molecular Weight | 244.108 |
| Exact Mass | 242.935 |
| XLogP3 | 3.0674 |
| Mr | 53.812 |
| PSA | 50.36 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1ccc2c(c1)nc(s2)Br |
