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CHEBI:28139 - bis(4-chlorophenyl)acetic acid

ChEBI IDCHEBI:28139
ChEBI Namebis(4-chlorophenyl)acetic acid
Stars
DefinitionA organochlorine compound comprising acetic acid having two 4-chlorophenyl substituents attached at the 2-position.
Secondary ChEBI IDsCHEBI:3118, CHEBI:22891
Last Modified24 October 2014
DownloadsMolfile
FormulaC14H10Cl2O2
Net Charge0
Average Mass281.138
Monoisotopic Mass280.00578
SMILESO=C(O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2O2/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13H,(H,17,18)
InChIKeyYIOCIFXUGBYCJR-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
bis(4-chlorophenyl)acetic acid (CHEBI:28139) has functional parent acetic acid (CHEBI:15366)
bis(4-chlorophenyl)acetic acid (CHEBI:28139) is a monocarboxylic acid (CHEBI:25384)
bis(4-chlorophenyl)acetic acid (CHEBI:28139) is a monochlorobenzenes (CHEBI:83403)
Synonyms  Source
2,2-Bis(4-chlorophenyl)acetic acidChemIDplus
2,2-Bis(p-chlorophenyl)acetic acidNIST Chemistry WebBook
bis(4-chlorophenyl)acetic acidChEBI
Bis(p-chlorophenyl)acetic acidChemIDplus
Bis(p-chlorphenyl)essigsäureChemIDplus
DDAKEGG COMPOUND
Manual XrefsDatabases
C06640KEGG COMPOUND
Registry NumbersSources
Reaxys:1913593Reaxys
CAS:83-05-6NIST Chemistry WebBook
CAS:83-05-6KEGG COMPOUND
Citations