Base information
| Cat. No. | |
| CAS No. | 494860-96-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H18BrNO4 |
| Molecular Weight | 416.265 |
| Exact Mass | 415.042 |
| XLogP3 | 5.1599 |
| Mr | 104.436 |
| PSA | 68.65 |
| Sequence | - |
| Atom number | 44 |
| Bond number | 46 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CCOc1cc(OCC)ccc1c1nc2ccc(cc2c(c1)C(=O)O)Br |
