Base information
| Cat. No. | |
| CAS No. | 65999-53-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8BrNO |
| Molecular Weight | 214.059 |
| Exact Mass | 212.979 |
| XLogP3 | 2.1772 |
| Mr | 46.8224 |
| PSA | 43.09 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | NC(=O)Cc1ccccc1Br |
