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(Q82807071)
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English
4-[(Pyrimidin-5-yl)ethynyl]benzonitrile
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
205.063997224
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₇N₃
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canonical SMILES
C1=CC(=CC=C1C#CC2=CN=CN=C2)C#N
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Identifiers
InChI
InChI=1S/C13H7N3/c14-7-12-4-1-11(2-5-12)3-6-13-8-15-10-16-9-13/h1-2,4-5,8-10H
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InChIKey
CGRSYSHFGLWAMN-UHFFFAOYSA-N
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CAS Registry Number
791104-42-2
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PubChem CID
71402931
1 reference
matched by identifier from
InChIKey
InChIKey
CGRSYSHFGLWAMN-UHFFFAOYSA-N
UniChem compound ID
58695869
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20823874
1 reference
matched by identifier from
InChIKey
InChIKey
CGRSYSHFGLWAMN-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80774616
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