Base information
| Cat. No. | |
| CAS No. | 101080-38-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7BrN2O2 |
| Molecular Weight | 243.057 |
| Exact Mass | 241.969 |
| XLogP3 | 1.9206 |
| Mr | 52.8692 |
| PSA | 61.69 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | ON=CC(=O)Nc1ccccc1Br |
