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(Q82806795)
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English
4-{[2,6-Difluoro-4-(pent-4-en-1-yl)phenyl]ethynyl}-2-fluorobenzonitrile
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
325.107834108
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₁₄F₃N
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canonical SMILES
C=CCCCC1=CC(=C(C(=C1)F)C#CC2=CC(=C(C=C2)C#N)F)F
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Identifiers
InChI
InChI=1S/C20H14F3N/c1-2-3-4-5-15-11-19(22)17(20(23)12-15)9-7-14-6-8-16(13-24)18(21)10-14/h2,6,8,10-12H,1,3-5H2
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InChIKey
FOLZDXKPMKASHH-UHFFFAOYSA-N
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CAS Registry Number
797048-25-0
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PubChem CID
71402731
1 reference
matched by identifier from
InChIKey
InChIKey
FOLZDXKPMKASHH-UHFFFAOYSA-N
UniChem compound ID
44627439
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30823688
1 reference
matched by identifier from
InChIKey
InChIKey
FOLZDXKPMKASHH-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40774430
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