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CHEBI:60698 - 4-bromobenzoic acid
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ChEBI Name
4-bromobenzoic acid
ChEBI ID
CHEBI:60698
Definition
A bromobenzoic acid carrying a single bromo subsituent at the 4-position.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C7H5BrO2
Net Charge
0
Average Mass
201.01700
Monoisotopic Mass
199.94729
InChI
InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKey
TUXYZHVUPGXXQG-UHFFFAOYSA-N
SMILES
OC(=O)c1ccc(Br)cc1
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
4-bromobenzoic acid (
CHEBI:60698
)
is a
bromobenzoic acid (
CHEBI:60714
)
Incoming
4-bromobenzoyl group (
CHEBI:60665
)
is substituent group from
4-bromobenzoic acid (
CHEBI:60698
)
IUPAC Name
4-bromobenzoic acid
Synonyms
Sources
4-Brom-benzösäure
ChEBI
4-carboxybromobenzene
ChEBI
p-Bromobenzenecarboxylic acid
ChemIDplus
p
-bromobenzoic acid
NIST Chemistry WebBook
p-Carboxybromobenzene
ChemIDplus
Registry Numbers
Types
Sources
1906923
Reaxys Registry Number
Reaxys
586-76-5
CAS Registry Number
NIST Chemistry WebBook
586-76-5
CAS Registry Number
ChemIDplus
Citations
Types
Sources
14782623
PubMed citation
Europe PMC
8831264
PubMed citation
Europe PMC
Last Modified
30 November 2010