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(Q82062246)
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English
1-(4-chlorophenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine-3-carbonitrile
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
281.071975064
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₁₂ClN₃
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canonical SMILES
CC1=CC(=NC2=C1C(=CN2C3=CC=C(C=C3)Cl)C#N)C
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Identifiers
InChI
InChI=1S/C16H12ClN3/c1-10-7-11(2)19-16-15(10)12(8-18)9-20(16)14-5-3-13(17)4-6-14/h3-7,9H,1-2H3
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InChIKey
YNVXQCGWTYWTTR-UHFFFAOYSA-N
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CAS Registry Number
59661-49-3
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PubChem CID
317319
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matched by identifier from
InChIKey
InChIKey
YNVXQCGWTYWTTR-UHFFFAOYSA-N
UniChem compound ID
45236566
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60311987
1 reference
matched by identifier from
InChIKey
InChIKey
YNVXQCGWTYWTTR-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80263111
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NSC number
248831
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