Base information
| Cat. No. | |
| CAS No. | 5798-71-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8BrNO |
| Molecular Weight | 214.059 |
| Exact Mass | 212.979 |
| XLogP3 | 2.6473 |
| Mr | 48.3295 |
| PSA | 32.59 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | ON=C(c1ccc(cc1)Br)C |
