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CAS Number: 1059172-96-1
2,2,2-trifluoro-1-(5-nitroisoindolin-2-yl)ethanone

Structure

 2,2,2-trifluoro-1-(5-nitroisoindolin-2-yl)ethanone
Name: 2,2,2-trifluoro-1-(5-nitroisoindolin-2-yl)ethanone
Synonyms:
General Information
Product Number: 1059172961

CAS Registry Number 1059172-96-1
Name:
Ethanone, 1-?(1,?3-?dihydro-?5-?nitro-?2H-?isoindol-?2-?yl)?-?2,?2,?2-?trifluoro-
2,2,2-Trifluoro-1-(5-nitro-1,3-dihydroisoindol-2-yl)ethanone

 

Chemical Formula: C10H7F3N2O3
Exact Mass: 260.04
Molecular Weight: 260.17
m/z: 260.04 (100.0%), 261.04 (11.6%), 262.05 (1.2%)

 

InChI:InChI=1S/C10H7F3N2O3/c11-10(12,13)9(16)14-4-6-1-2-8(15(17)18)3-7(6)5-14/h1-3H,4-5H2

InChI Key:XKYKHNOGUWIVSV-UHFFFAOYSA-N

Canonical SMILES:C1C2=C(CN1C(=O)C(F)(F)F)C=C(C=C2)[N+](=O)[O-]

Specification

98%
References

PCT Int. Appl. (2010), WO 2010141796 A2 20101209. 

Bioorganic & Medicinal Chemistry Letters (2008), 18(14), 4159-4162. 
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