Base information
| Cat. No. | |
| CAS No. | 41234-19-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H10BrNO4 |
| Molecular Weight | 312.116 |
| Exact Mass | 310.979 |
| XLogP3 | 2.45788 |
| Mr | 68.3518 |
| PSA | 79.55 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 28 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | N#CC(=Cc1cc(OC)c(cc1Br)OC)C(=O)O |
