Base information
| Cat. No. | |
| CAS No. | 71079-03-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8BrNO2 |
| Molecular Weight | 230.059 |
| Exact Mass | 228.974 |
| XLogP3 | 2.2338 |
| Mr | 48.3942 |
| PSA | 63.32 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | NC(c1ccc(cc1)Br)C(=O)O |
