Base information
| Cat. No. | |
| CAS No. | 1621912-33-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7BrO4 |
| Molecular Weight | 259.053 |
| Exact Mass | 257.953 |
| XLogP3 | 1.9339 |
| Mr | 52.3808 |
| PSA | 63.6 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1ccc(c(c1)C(=O)O)Br |
