CHEBI:39413 - 4,4'-dichlorobenzilic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 4,4'-dichlorobenzilic acid ChEBI ID CHEBI:39413 Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C14H10Cl2O3 Net Charge 0 Average Mass 297.13280 Monoisotopic Mass 296.00070 InChI InChI=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) InChIKey LXFMMUDXRIMBHN-UHFFFAOYSA-N SMILES OC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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 chloropropylate (CHEBI:39411) has functional parent 4,4'-dichlorobenzilic acid (CHEBI:39413) IUPAC Name bis(4-chlorophenyl)(hydroxy)acetic acid Registry Numbers Types Sources 2383632 Beilstein Registry Number Beilstein 23851-46-9 CAS Registry Number ChemIDplus Last Modified 23 October 2014