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CHEBI:28995 - 2,4-dichlorobenzoate
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ChEBI Ontology
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ChEBI Name
2,4-dichlorobenzoate
ChEBI ID
CHEBI:28995
Definition
A chlorobenzoate obtained by deprotonation of the carboxy group of 2,4-dichlorobenzoic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:19348
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Formula
C7H3Cl2O2
Net Charge
-1
Average Mass
190.00292
Monoisotopic Mass
188.95156
InChI
InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)/p-1
InChIKey
ATCRIUVQKHMXSH-UHFFFAOYSA-M
SMILES
[O-]C(=O)c1ccc(Cl)cc1Cl
Roles Classification
Biological Role
(s):
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2,4-dichlorobenzoate (
CHEBI:28995
)
has functional parent
benzoate (
CHEBI:16150
)
2,4-dichlorobenzoate (
CHEBI:28995
)
has role
bacterial metabolite (
CHEBI:76969
)
2,4-dichlorobenzoate (
CHEBI:28995
)
is a
chlorobenzoate (
CHEBI:23133
)
2,4-dichlorobenzoate (
CHEBI:28995
)
is conjugate base of
2,4-dichlorobenzoic acid (
CHEBI:30748
)
Incoming
2,4-dichlorobenzoic acid (
CHEBI:30748
)
is conjugate acid of
2,4-dichlorobenzoate (
CHEBI:28995
)
IUPAC Name
2,4-dichlorobenzoate
Manual Xref
Database
c0188
UM-BBD
View more database links
Registry Numbers
Types
Sources
329290
Gmelin Registry Number
Gmelin
4135889
Reaxys Registry Number
Reaxys
Last Modified
01 September 2014