CHEBI:39345 - 2-(4-chlorophenyl)-3-methylbutyric acid

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ChEBI Name 2-(4-chlorophenyl)-3-methylbutyric acid ChEBI ID CHEBI:39345 Definition A monocarboxylic acid consisting of isovaleric acid having a 4-chlorophenyl group at the 2-position. 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 C11H13ClO2 Net Charge 0 Average Mass 212.67242 Monoisotopic Mass 212.06041 InChI InChI=1S/C11H13ClO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14) InChIKey VTJMSIIXXKNIDJ-UHFFFAOYSA-N SMILES CC(C)C(C(O)=O)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 2-(4-chlorophenyl)-3-methylbutyric acid (CHEBI:39345) has functional parent isovaleric acid (CHEBI:28484) 2-(4-chlorophenyl)-3-methylbutyric acid (CHEBI:39345) is a monocarboxylic acid (CHEBI:25384) 2-(4-chlorophenyl)-3-methylbutyric acid (CHEBI:39345) is a monochlorobenzenes (CHEBI:83403) Incoming fenvalerate (CHEBI:5014) has functional parent 2-(4-chlorophenyl)-3-methylbutyric acid (CHEBI:39345) IUPAC Name 2-(4-chlorophenyl)-3-methylbutanoic acid Registry Number Type Source 2012-74-0 CAS Registry Number ChemIDplus Last Modified 23 October 2014