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(Q82661354)
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English
1-Oxo-4-[4-(trifluoromethyl)phenyl]-1lambda~5~-pyridine
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
239.055798536
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₈F₃NO
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canonical SMILES
C1=CC(=CC=C1C2=CC=[N+](C=C2)[O-])C(F)(F)F
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Identifiers
InChI
InChI=1S/C12H8F3NO/c13-12(14,15)11-3-1-9(2-4-11)10-5-7-16(17)8-6-10/h1-8H
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InChIKey
YZMHTFXQZHZJSM-UHFFFAOYSA-N
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CAS Registry Number
545396-52-9
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PubChem CID
57350829
1 reference
matched by identifier from
InChIKey
InChIKey
YZMHTFXQZHZJSM-UHFFFAOYSA-N
UniChem compound ID
51310793
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70722207
1 reference
matched by identifier from
InChIKey
InChIKey
YZMHTFXQZHZJSM-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90672952
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