Base information
| Cat. No. | |
| CAS No. | 1083196-29-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6BrNO3 |
| Molecular Weight | 256.053 |
| Exact Mass | 254.953 |
| XLogP3 | 2.3769 |
| Mr | 52.9885 |
| PSA | 52.33 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1cc2c(o1)ncc(c2)Br |