CHEBI:49401 - 3,4-dichlorobenzoic acid

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ChEBI Name 3,4-dichlorobenzoic acid
ChEBI ID CHEBI:49401
Definition A chlorobenzoic acid carrying chloro substituents at positions 3 and 4.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C7H4Cl2O2
Net Charge 0
Average Mass 191.01100
Monoisotopic Mass 189.95883
InChI InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChIKey VPHHJAOJUJHJKD-UHFFFAOYSA-N
SMILES OC(=O)c1ccc(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-dichlorobenzoic acid (CHEBI:49401) is a chlorobenzoic acid (CHEBI:23134)
3,4-dichlorobenzoic acid (CHEBI:49401) is conjugate acid of 3,4-dichlorobenzoate (CHEBI:83287)
Incoming 3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate (CHEBI:83284) has functional parent 3,4-dichlorobenzoic acid (CHEBI:49401)
3,4-dichlorobenzoate (CHEBI:83287) is conjugate base of 3,4-dichlorobenzoic acid (CHEBI:49401)
IUPAC Name
3,4-dichlorobenzoic acid
Manual Xref Database
34Z PDBeChem
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Registry Numbers Types Sources
2044777 Reaxys Registry Number Reaxys
51-44-5 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
7766130 PubMed citation Europe PMC
Last Modified
13 October 2014