Base information
| Cat. No. | |
| CAS No. | 1353100-91-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H7BrN2O2 |
| Molecular Weight | 219.036 |
| Exact Mass | 217.969 |
| XLogP3 | 1.3489 |
| Mr | 42.3742 |
| PSA | 54.98 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1c[nH]nc1Br |
