Base information
| Cat. No. | |
| CAS No. | 41234-20-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H12BrNO4 |
| Molecular Weight | 314.132 |
| Exact Mass | 312.995 |
| XLogP3 | 2.23318 |
| Mr | 68.0338 |
| PSA | 79.55 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 30 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | N#CC(C(=O)O)Cc1cc(OC)c(cc1Br)OC |
