CHEBI:420128 - 5-chlorosalicylic acid

ChEBI IDCHEBI:420128
ChEBI Name5-chlorosalicylic acid
Stars
DefinitionA monohydroxybenzoic acid that is 2-hydroxybenzoic acid (salicylic acid) in which the hydrogen at position 5 is replaced by chlorine.
Last Modified14 October 2021
DownloadsMolfile
FormulaC7H5ClO3
Net Charge0
Average Mass172.567
Monoisotopic Mass171.99272
SMILESO=C(O)c1cc(Cl)ccc1O
InChIInChI=1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChIKeyNKBASRXWGAGQDP-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-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 Relation(s)
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  Source
2-Hydroxy-5-chlorobenzoic acidChemIDplus
5-Chloro-2-hydroxybenzoic acidChemIDplus
5 CSANIST Chemistry WebBook
Manual XrefsDatabases
CN101684061Patent
Registry NumbersSources
Gmelin:561203Gmelin
Reaxys:2046665Reaxys
CAS:321-14-2ChemIDplus
CAS:321-14-2NIST Chemistry WebBook
Citations