CHEBI:420128 - 5-chlorosalicylic acid

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ChEBI Name 5-chlorosalicylic acid
ChEBI ID CHEBI:420128
Definition A monohydroxybenzoic acid that is 2-hydroxybenzoic acid (salicylic acid) in which the hydrogen at position 5 is replaced by chlorine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C7H5ClO3
Net Charge 0
Average Mass 172.56600
Monoisotopic Mass 171.99272
InChI InChI=1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChIKey NKBASRXWGAGQDP-UHFFFAOYSA-N
SMILES OC(=O)c1cc(Cl)ccc1O
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-chlorosalicylic acid (CHEBI:420128) has functional parent benzoic acid (CHEBI:30746)
5-chlorosalicylic acid (CHEBI:420128) is a chlorobenzoic acid (CHEBI:23134)
5-chlorosalicylic acid (CHEBI:420128) is a monochlorobenzenes (CHEBI:83403)
5-chlorosalicylic acid (CHEBI:420128) is a monohydroxybenzoic acid (CHEBI:25389)
5-chlorosalicylic acid (CHEBI:420128) is conjugate acid of 5-chlorosalicylate (CHEBI:59131)
Incoming niclosamide (CHEBI:7553) has functional parent 5-chlorosalicylic acid (CHEBI:420128)
5-chlorosalicylate (CHEBI:59131) is conjugate base of 5-chlorosalicylic acid (CHEBI:420128)
IUPAC Name
5-chloro-2-hydroxybenzoic acid
Synonyms Sources
2-Hydroxy-5-chlorobenzoic acid ChemIDplus
5 CSA NIST Chemistry WebBook
5-Chloro-2-hydroxybenzoic acid ChemIDplus
Manual Xref Database
CN101684061 Patent
View more database links
Registry Numbers Types Sources
2046665 Reaxys Registry Number Reaxys
2046665 Beilstein Registry Number Beilstein
321-14-2 CAS Registry Number NIST Chemistry WebBook
321-14-2 CAS Registry Number ChemIDplus
561203 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
1650428 PubMed citation Europe PMC
18819808 PubMed citation Europe PMC
1944396 PubMed citation Europe PMC
20062845 PubMed citation Europe PMC
21689976 PubMed citation Europe PMC
22365879 PubMed citation Europe PMC
22476141 PubMed citation Europe PMC
28166217 PubMed citation Europe PMC
IND43635496 Agricola citation Europe PMC
Last Modified
14 October 2021