Base information
| Cat. No. | |
| CAS No. | 79839-49-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5BrO2 |
| Molecular Weight | 213.028 |
| Exact Mass | 211.947 |
| XLogP3 | 2.0741 |
| Mr | 44.917 |
| PSA | 34.14 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=Cc1cccc(c1Br)C=O |
