Base information
| Cat. No. | |
| CAS No. | 5798-78-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6BrClO2 |
| Molecular Weight | 249.489 |
| Exact Mass | 247.924 |
| XLogP3 | 3.3245 |
| Mr | 50.385 |
| PSA | 26.3 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | ClC(=O)OCc1ccc(cc1)Br |
