Base information
| Cat. No. | |
| CAS No. | 1485684-77-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H5BrO2 |
| Molecular Weight | 225.039 |
| Exact Mass | 223.947 |
| XLogP3 | 2.0887 |
| Mr | 49.2063 |
| PSA | 37.3 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | BrC#Cc1ccc(cc1)C(=O)O |
