Base information
| Cat. No. | |
| CAS No. | 20986-40-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8BrNO2 |
| Molecular Weight | 230.059 |
| Exact Mass | 228.974 |
| XLogP3 | 2.0208 |
| Mr | 48.0235 |
| PSA | 39.19 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1cncc(c1)Br |
