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CHEBI:79706 - 3-(4-chlorophenyl)-2H-1-benzopyran-2-one

ChEBI IDCHEBI:79706
ChEBI Name3-(4-chlorophenyl)-2H-1-benzopyran-2-one
Stars
ASCII Name3-(4-chlorophenyl)-2H-1-benzopyran-2-one
DefinitionA member of the class of coumarins that is coumarin substituted by a 4-chlorophenyl group at position 3.
Last Modified23 June 2015
DownloadsMolfile
FormulaC15H9ClO2
Net Charge0
Average Mass256.688
Monoisotopic Mass256.02911
SMILESO=c1oc2ccccc2cc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H9ClO2/c16-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)18-15(13)17/h1-9H
InChIKeyBNYLKZRNTGQYAY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(4-chlorophenyl)-2H-1-benzopyran-2-one (CHEBI:79706) has functional parent coumarin (CHEBI:28794)
3-(4-chlorophenyl)-2H-1-benzopyran-2-one (CHEBI:79706) is a coumarins (CHEBI:23403)
3-(4-chlorophenyl)-2H-1-benzopyran-2-one (CHEBI:79706) is a monochlorobenzenes (CHEBI:83403)
IUPAC Name 
3-(4-chlorophenyl)-2H-1-benzopyran-2-one
Synonyms  Source
3-(p-Chlorophenyl)coumarinKEGG COMPOUND
3-(4-chlorophenyl)-2H-chromen-2-oneChEBI
Manual XrefsDatabases
C15189KEGG COMPOUND
Registry NumbersSources
Reaxys:192970Reaxys