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CHEBI:83287 - 3,4-dichlorobenzoate
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ChEBI Ontology
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ChEBI Name
3,4-dichlorobenzoate
ChEBI ID
CHEBI:83287
Definition
A chlorobenzoate obtained by deprotonation of the carboxy group of 3,4-dichlorobenzoic acid. The major species at pH 7.3.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C7H3Cl2O2
Net Charge
-1
Average Mass
190.00400
Monoisotopic Mass
188.95156
InChI
InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)/p-1
InChIKey
VPHHJAOJUJHJKD-UHFFFAOYSA-M
SMILES
[O-]C(=O)c1ccc(Cl)c(Cl)c1
ChEBI Ontology
Outgoing
3,4-dichlorobenzoate (
CHEBI:83287
)
is a
chlorobenzoate (
CHEBI:23133
)
3,4-dichlorobenzoate (
CHEBI:83287
)
is conjugate base of
3,4-dichlorobenzoic acid (
CHEBI:49401
)
Incoming
3,4-dichlorobenzoic acid (
CHEBI:49401
)
is conjugate acid of
3,4-dichlorobenzoate (
CHEBI:83287
)
IUPAC Name
3,4-dichlorobenzoate
Registry Number
Type
Source
3665338
Reaxys Registry Number
Reaxys
Last Modified
13 October 2014