AC1LUI7L
(4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-(4-chloro-3-nitrophenyl)-1,3-oxazol-5-one
Also Known As: BAS 00384722|(4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-(4-chloro-3-nitrophenyl)-1,3-oxazol-5(4H)-one|(4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-(4-chloro-3-nitrophenyl)-1,3-oxazol-5-one|(Z)-4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-2-(4-chloro-3-nitrophenyl)oxazol-5(4H)-one|4-[(6-bromo(2H-benzo[d]1,3-dioxolan-5-yl))methylene]-2-(4-chloro-3-nitrophenyl )-1,3-oxazolin-5-one|4-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-2-(4-chloro-3-nitrophenyl)-1,3-oxazol-5(4H)-one
| Molecular Formula | C17H8BrClN2O6 |
|---|---|
| Molecular Weight | 449.9254 g/mol |
| LogP | 4.0839 |
| Topological Polar Surface Area | 100.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.9254 |
| Monoisotopic Mass | 449.9254 |
| Heavy Atoms | 27 |
| Complexity | 1065.6294 |
Chemical Identifiers
| CAS Number | 5891-34-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)/C=C\3/C(=O)OC(=N3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])Br |
Product Overview
AC1LUI7L (CAS 5891-34-9), with molecular formula C17H8BrClN2O6 and molecular weight 449.9254 g/mol. IUPAC: (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-(4-chloro-3-nitrophenyl)-1,3-oxazol-5-one.