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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
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.
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This entity has been manually annotated by the ChEBI Team.
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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 (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
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
321-14-2
CAS Registry Number
NIST Chemistry WebBook
321-14-2
CAS Registry Number
ChemIDplus
561203
Gmelin Registry Number
Gmelin
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