Base information
| Cat. No. | |
| CAS No. | 57543-68-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H6BrNO |
| Molecular Weight | 236.065 |
| Exact Mass | 234.963 |
| XLogP3 | 2.74848 |
| Mr | 53.167 |
| PSA | 33.02 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Brc1cc2C=C(COc2cc1)C#N |
