Base information
| Cat. No. | |
| CAS No. | 21619-25-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H7BrO2 |
| Molecular Weight | 179.012 |
| Exact Mass | 177.963 |
| XLogP3 | 0.9279 |
| Mr | 34.419 |
| PSA | 34.14 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 14 |
| Ring number | 0 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(C(=O)C(=O)C)Br |
