Base information
| Cat. No. | |
| CAS No. | 194805-04-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H16BrNO3 |
| Molecular Weight | 350.207 |
| Exact Mass | 349.031 |
| XLogP3 | 3.584 |
| Mr | 85.7225 |
| PSA | 48.3 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 39 |
| Ring number | 3 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1cn(C2CC2)c2c(c1=O)ccc(c2C)Br |
