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CHEBI:166849 - 3,4,5-trichlorobenzoic acid

ChEBI IDCHEBI:166849
ChEBI Name3,4,5-trichlorobenzoic acid
Stars
DefinitionA chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 3,4 and 5 are substituted by chloro groups.
Last Modified16 November 2020
Submittereladnoor
DownloadsMolfile
FormulaC7H3Cl3O2
Net Charge0
Average Mass225.458
Monoisotopic Mass223.91986
SMILESO=C(O)c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C7H3Cl3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
InChIKeyICUICNRYLHKQGS-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)
3,4,5-trichlorobenzoic acid (CHEBI:166849) is a chlorobenzoic acid (CHEBI:23134)
3,4,5-trichlorobenzoic acid (CHEBI:166849) is a trichlorobenzene (CHEBI:27096)
IUPAC Name 
3,4,5-trichlorobenzoic acid
Synonyms  Source
benzoic acid, 3,4,5-trichloro-ChemIDplus
3,4,5-trichloro-benzoic acidChEBI
Manual XrefsDatabases
5607ChemSpider
Registry NumbersSources
Reaxys:3267440Reaxys
CAS:51-39-8ChemIDplus