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> Main
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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Molfile
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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 (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
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
View more database links
Registry Numbers
Types
Sources
2044777
Reaxys Registry Number
Reaxys
51-44-5
CAS Registry Number
ChemIDplus
Citation
Type
Source
7766130
PubMed citation
Europe PMC
Last Modified
13 October 2014