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

ChEBI IDCHEBI:39345
ChEBI Name2-(4-chlorophenyl)-3-methylbutyric acid
Stars
DefinitionA monocarboxylic acid consisting of isovaleric acid having a 4-chlorophenyl group at the 2-position.
Last Modified23 October 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC11H13ClO2
Net Charge0
Average Mass212.676
Monoisotopic Mass212.06041
SMILESCC(C)C(C(=O)O)c1ccc(Cl)cc1
InChIInChI=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)
InChIKeyVTJMSIIXXKNIDJ-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)
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 Relation(s)
fenvalerate (CHEBI:5014) has functional parent 2-(4-chlorophenyl)-3-methylbutyric acid (CHEBI:39345)
IUPAC Name 
2-(4-chlorophenyl)-3-methylbutanoic acid
Registry NumbersSources
CAS:2012-74-0ChemIDplus