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CHEBI:166854 - 5-chloro-2-methylbenzoic acid

ChEBI IDCHEBI:166854
ChEBI Name5-chloro-2-methylbenzoic acid
Stars
DefinitionA member of the class of chlorobenzoic acids that is benzoic acid in which the ring hydrogens at positions 2 and 5 are replaced by methyl and chloro groups, respectively.
Last Modified16 November 2020
Submittereladnoor
DownloadsMolfile
FormulaC8H7ClO2
Net Charge0
Average Mass170.595
Monoisotopic Mass170.01346
SMILESCc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C8H7ClO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKeyCSAPESWNZDOAFU-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)
5-chloro-2-methylbenzoic acid (CHEBI:166854) is a chlorobenzoic acid (CHEBI:23134)
5-chloro-2-methylbenzoic acid (CHEBI:166854) is a monochlorobenzenes (CHEBI:83403)
5-chloro-2-methylbenzoic acid (CHEBI:166854) is a toluenes (CHEBI:27024)
IUPAC Name 
5-chloro-2-methylbenzoic acid
Synonyms  Source
2-methyl-5-chlorobenzoic acidSUBMITTER
benzoic acid, 5-chloro-2-methyl-ChemIDplus
5-chloro-o-toluic acidChemIDplus
5-chloro-2-methyl-benzoic acidChEBI
Manual XrefsDatabases
74014ChemSpider
Registry NumbersSources
Reaxys:2249814Reaxys
CAS:7499-06-1ChemIDplus