Base information
| Cat. No. | |
| CAS No. | 1035123-89-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6BrNO2 |
| Molecular Weight | 228.043 |
| Exact Mass | 226.958 |
| XLogP3 | 1.9419 |
| Mr | 48.6068 |
| PSA | 50.19 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC(=O)C=Cc1ccc(nc1)Br |
