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2-Chloro-5-fluoro-4-piperazin-1-yl-benzonitrile
SpectraBase Compound ID 3AXntAQtNwu
InChI InChI=1S/C11H11ClFN3/c12-9-6-11(10(13)5-8(9)7-14)16-3-1-15-2-4-16/h5-6,15H,1-4H2
InChIKey CAIIXUNQAOJWCW-UHFFFAOYSA-N
Mol Weight 239.68 g/mol
Molecular Formula C11H11ClFN3
Exact Mass 239.062553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QJ0sB2TVgD
Name 2-Chloro-5-fluoro-4-piperazin-1-yl-benzonitrile
Alternate Name(s) 2-Chloranyl-5-fluoranyl-4-piperazin-1-yl-benzenecarbonitrile 2-Chloro-5-fluoro-4-(1-piperazinyl)benzonitrile 2-Chloro-5-fluoro-4-piperazino-benzonitrile
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Formula C11H11ClFN3
InChI InChI=1S/C11H11ClFN3/c12-9-6-11(10(13)5-8(9)7-14)16-3-1-15-2-4-16/h5-6,15H,1-4H2
InChIKey CAIIXUNQAOJWCW-UHFFFAOYSA-N
Molecular Weight 239.681 g/mol
SMILES N1CCN(CC1)c1cc(Cl)c(cc1F)C#N
SPLASH splash10-0002-3910000000-de8077c094617c122b6a
Wiley ID 1466366