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CHEBI:39413 - 4,4'-dichlorobenzilic acid

ChEBI IDCHEBI:39413
ChEBI Name4,4'-dichlorobenzilic acid
Stars
Last Modified23 October 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC14H10Cl2O3
Net Charge0
Average Mass297.137
Monoisotopic Mass296.00070
SMILESO=C(O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2O3/c15-11-5-1-9(2-6-11)14(19,13(17)18)10-3-7-12(16)8-4-10/h1-8,19H,(H,17,18)
InChIKeyLXFMMUDXRIMBHN-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)
4,4'-dichlorobenzilic acid (CHEBI:39413) has functional parent benzilic acid (CHEBI:39414)
4,4'-dichlorobenzilic acid (CHEBI:39413) is a chlorocarboxylic acid (CHEBI:36685)
4,4'-dichlorobenzilic acid (CHEBI:39413) is a monochlorobenzenes (CHEBI:83403)
4,4'-dichlorobenzilic acid (CHEBI:39413) is a tertiary alcohol (CHEBI:26878)
Incoming Relation(s)
chloropropylate (CHEBI:39411) has functional parent 4,4'-dichlorobenzilic acid (CHEBI:39413)
IUPAC Name 
bis(4-chlorophenyl)(hydroxy)acetic acid
Registry NumbersSources
Beilstein:2383632Beilstein
CAS:23851-46-9ChemIDplus