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CHEBI:34398 - 4-chlorochalcone

ChEBI IDCHEBI:34398
ChEBI Name4-chlorochalcone
Stars
DefinitionA member of the class of chalcones that is trans-chalcone substituted by a chloro group at position 4.
Last Modified12 June 2015
DownloadsMolfile
FormulaC15H11ClO
Net Charge0
Average Mass242.705
Monoisotopic Mass242.04984
SMILESO=C(/C=C/c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H11ClO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H/b11-8+
InChIKeyABGIIXRNMHUKII-DHZHZOJOSA-N
ChEBI Ontology
Outgoing Relation(s)
4-chlorochalcone (CHEBI:34398) has functional parent trans-chalcone (CHEBI:48965)
4-chlorochalcone (CHEBI:34398) is a chalcones (CHEBI:23086)
4-chlorochalcone (CHEBI:34398) is a monochlorobenzenes (CHEBI:83403)
IUPAC Name 
(2E)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
Synonym  Source
3-(4-Chlorophenyl)-1-phenyl-2-propen-1-oneKEGG COMPOUND
Manual XrefsDatabases
C14585KEGG COMPOUND
Registry NumbersSources
Reaxys:2049160Reaxys
CAS:956-04-7KEGG COMPOUND