CHEBI:61116 - 4-chlorocinnamic acid

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ChEBI Name 4-chlorocinnamic acid
ChEBI ID CHEBI:61116
Definition An organochlorine compound comprising trans-cinnamic acid having a chloro substituent at the 4-position on the phenyl ring.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C9H7ClO2
Net Charge 0
Average Mass 182.60400
Monoisotopic Mass 182.01346
InChI InChI=1S/C9H7ClO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+
InChIKey GXLIFJYFGMHYDY-ZZXKWVIFSA-N
SMILES OC(=O)\C=C\c1ccc(Cl)cc1
ChEBI Ontology
Outgoing 4-chlorocinnamic acid (CHEBI:61116) has functional parent trans-cinnamic acid (CHEBI:35697)
4-chlorocinnamic acid (CHEBI:61116) is a monochlorobenzenes (CHEBI:83403)
Incoming 4-chlorocinnamoyl group (CHEBI:60675) is substituent group from 4-chlorocinnamic acid (CHEBI:61116)
IUPAC Name
(2E)-3-(4-chlorophenyl)prop-2-enoic acid
Synonyms Sources
(2E)-3-(4-chlorophenyl)acrylic acid IUPAC
(E)-p-Chlorocinnamic acid ChemIDplus
trans-p-Chlorocinnamic acid ChemIDplus
Registry Numbers Types Sources
2044025 Reaxys Registry Number Reaxys
940-62-5 CAS Registry Number ChemIDplus
Last Modified
23 October 2014