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

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ChEBI Name 5-chloro-2-methylbenzoic acid
ChEBI ID CHEBI:166854
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Elad Noor
Supplier Information
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Formula C8H7ClO2
Net Charge 0
Average Mass 170.590
Monoisotopic Mass 170.01346
InChI InChI=1S/C8H7ClO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey CSAPESWNZDOAFU-UHFFFAOYSA-N
SMILES CC1=CC=C(Cl)C=C1C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 Sources
2-methyl-5-chlorobenzoic acid SUBMITTER
5-chloro-2-methyl-benzoic acid ChEBI
5-chloro-o-toluic acid ChemIDplus
benzoic acid, 5-chloro-2-methyl- ChemIDplus
Manual Xref Database
74014 ChemSpider
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Registry Numbers Types Sources
2249814 Reaxys Registry Number Reaxys
7499-06-1 CAS Registry Number ChemIDplus
Last Modified
16 November 2020