Base information
| Cat. No. | |
| CAS No. | 124505-60-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H16BrNO3 |
| Molecular Weight | 326.186 |
| Exact Mass | 325.031 |
| XLogP3 | -1.297 |
| Mr | 78.664 |
| PSA | 39.41 |
| Sequence | - |
| Atom number | 35 |
| Bond number | 35 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)C[n+]1cccc2c1ccc(c2)OC.[Br-] |
