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

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ChEBI Name 3,4,5-trichlorobenzoic acid
ChEBI ID CHEBI:166849
Definition A chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 3,4 and 5 are substituted by chloro groups.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Elad Noor
Supplier Information
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Formula C7H3Cl3O2
Net Charge 0
Average Mass 225.450
Monoisotopic Mass 223.91986
InChI InChI=1S/C7H3Cl3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
InChIKey ICUICNRYLHKQGS-UHFFFAOYSA-N
SMILES OC(=O)C1=CC(Cl)=C(Cl)C(Cl)=C1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 Sources
3,4,5-trichloro-benzoic acid ChEBI
benzoic acid, 3,4,5-trichloro- ChemIDplus
Manual Xref Database
5607 ChemSpider
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Registry Numbers Types Sources
3267440 Reaxys Registry Number Reaxys
51-39-8 CAS Registry Number ChemIDplus
Last Modified
16 November 2020