Base information
| Cat. No. | |
| CAS No. | 1318104-12-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H14BrNO3 |
| Molecular Weight | 312.159 |
| Exact Mass | 311.016 |
| XLogP3 | 3.8926 |
| Mr | 73.863 |
| PSA | 51.46 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 33 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=C(n1cc(c2c1cccc2Br)O)OC(C)(C)C |
