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CHEBI:30747 - 4-chlorobenzoic acid

ChEBI IDCHEBI:30747
ChEBI Name4-chlorobenzoic acid
Stars
DefinitionA monochlorobenzoic acid carrying a chloro substituent at position 4.
Secondary ChEBI IDsCHEBI:1803, CHEBI:20334, CHEBI:49369
Last Modified23 January 2014
SubmitterKirill Degtyarenko
DownloadsMolfile

FormulaC7H5ClO2
Net Charge0
Average Mass156.568
Monoisotopic Mass155.99781
SMILESO=C(O)c1ccc(Cl)cc1
InChIInChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKeyXRHGYUZYPHTUJZ-UHFFFAOYSA-N

Roles Classification

ChEBI Ontology
IUPAC Name 
4-chlorobenzoic acid
Synonyms  Source
4-Chlorobenzoic acidKEGG COMPOUND
p-chlorbenzoic acidNIST Chemistry WebBook
p-chlorobenzoic acidNIST Chemistry WebBook
4-CHLORO-BENZOIC ACIDPDBeChem
Manual XrefsDatabases
C02370KEGG COMPOUND
174PDBeChem
DB03728DrugBank
CPD-615MetaCyc
Registry NumbersSources
Gmelin:3034Gmelin
Reaxys:907196Reaxys
CAS:74-11-3KEGG COMPOUND
CAS:74-11-3ChemIDplus
CAS:74-11-3NIST Chemistry WebBook
Citations