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CHEBI:194962 - 4-(Methylsulfonyl)benzonitrile

ChEBI IDCHEBI:194962
ChEBI Name4-(Methylsulfonyl)benzonitrile
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SubmitterMetaboLights
DownloadsMolfile
FormulaC8H7NO2S
Net Charge0
Average Mass181.216
Monoisotopic Mass181.01975
SMILESCS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C8H7NO2S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5H,1H3
InChIKeyFARXIDYHJAANGP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(Methylsulfonyl)benzonitrile (CHEBI:194962) is a sulfonic acid derivative (CHEBI:33552)
IUPAC Name 
4-methylsulonylbenzonitrile
Manual XrefsDatabases
453559ChemSpider