Base information
| Cat. No. | |
| CAS No. | 2199-83-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H11BrO3 |
| Molecular Weight | 295.129 |
| Exact Mass | 293.989 |
| XLogP3 | 3.5383 |
| Mr | 69.9925 |
| PSA | 47.28 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 29 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCCC(=O)c1cc2cc(Br)ccc2oc1=O |
