Base information
| Cat. No. | |
| CAS No. | 6221-12-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6BrNO |
| Molecular Weight | 200.033 |
| Exact Mass | 198.963 |
| XLogP3 | 1.6592 |
| Mr | 42.3015 |
| PSA | 29.96 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | BrCC(=O)c1cccnc1 |
