Base information
| Cat. No. | |
| CAS No. | 808127-76-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6BrNO2 |
| Molecular Weight | 228.043 |
| Exact Mass | 226.958 |
| XLogP3 | 1.7269 |
| Mr | 51.1212 |
| PSA | 49.33 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Oc1cc(Br)c2c(c1)C(=O)NC2 |
