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CHEBI:166848 - 2,3,5-trichlorobenzoic acid

ChEBI IDCHEBI:166848
ChEBI Name2,3,5-trichlorobenzoic acid
Stars
DefinitionA chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2,3 and 5 are substituted by chloro groups.
Last Modified13 November 2020
Submittereladnoor
DownloadsMolfile
FormulaC7H3Cl3O2
Net Charge0
Average Mass225.458
Monoisotopic Mass223.91986
SMILESO=C(O)c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C7H3Cl3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)
InChIKeyCGFDSIZRJWMQPP-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
2,3,5-trichlorobenzoic acid (CHEBI:166848) has role bacterial xenobiotic metabolite (CHEBI:76976)
2,3,5-trichlorobenzoic acid (CHEBI:166848) is a chlorobenzoic acid (CHEBI:23134)
2,3,5-trichlorobenzoic acid (CHEBI:166848) is a trichlorobenzene (CHEBI:27096)
2,3,5-trichlorobenzoic acid (CHEBI:166848) is conjugate acid of 2,3,5-trichlorobenzoate (CHEBI:166859)
Incoming Relation(s)
2,3,5-trichlorobenzoate (CHEBI:166859) is conjugate base of 2,3,5-trichlorobenzoic acid (CHEBI:166848)
IUPAC Name 
2,3,5-trichlorobenzoic acid
Synonym  Source
benzoic acid, 2,3,5-trichloro-ChemIDplus
Manual XrefsDatabases
59509ChemSpider
Registry NumbersSources
Reaxys:2097064Reaxys
CAS:50-73-7ChemIDplus
Citations