Base information
| Cat. No. | |
| CAS No. | 211738-66-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H7BrN2O2 |
| Molecular Weight | 219.036 |
| Exact Mass | 217.969 |
| XLogP3 | 0.9692 |
| Mr | 42.4685 |
| PSA | 44.12 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1nn(cc1Br)C |
