Base information
| Cat. No. | |
| CAS No. | 110811-31-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6BrNO2 |
| Molecular Weight | 240.053 |
| Exact Mass | 238.958 |
| XLogP3 | 2.6286 |
| Mr | 52.958 |
| PSA | 53.09 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1c[nH]c2c1c(Br)ccc2 |
