AC1NCS3S
3-[[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methylidene]-2-benzofuran-1-one
Also Known As: KS-00003FEN|3-({4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazino}methylene)-2-benzofuran-1(3H)-one|3-[[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methylidene]-2-benzofuran-1-one|3-[[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methylidene]isobenzofuran-1-one
CAS: 338976-29-7
| Molecular Formula | C20H15F3N4O6 |
|---|---|
| Molecular Weight | 464.09436 g/mol |
| LogP | 3.8128 |
| Topological Polar Surface Area | 119.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.09436 |
| Monoisotopic Mass | 464.09436 |
| Heavy Atoms | 33 |
| Complexity | 1153.558 |
Chemical Identifiers
| CAS Number | 338976-29-7 |
|---|---|
| SMILES | C1CN(CCN1C=C2C3=CC=CC=C3C(=O)O2)C4=C(C=C(C=C4[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Product Overview
AC1NCS3S (CAS 338976-29-7), with molecular formula C20H15F3N4O6 and molecular weight 464.09436 g/mol. IUPAC: 3-[[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methylidene]-2-benzofuran-1-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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