Base information
| Cat. No. | |
| CAS No. | 66411-17-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6Br2O4 |
| Molecular Weight | 337.95 |
| Exact Mass | 335.863 |
| XLogP3 | 2.681 |
| Mr | 59.6713 |
| PSA | 55.76 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1c2OCCOc2cc(c1Br)Br |
