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CHEBI:60698 - 4-bromobenzoic acid

Default Structure
ChEBI IDCHEBI:60698
ChEBI Name4-bromobenzoic acid
Stars
DefinitionA bromobenzoic acid carrying a single bromo subsituent at the 4-position.
Last Modified30 November 2010
Submitterzjosephs
DownloadsMolfile
FormulaC7H5BrO2
Net Charge0
Average Mass201.019
Monoisotopic Mass199.94729
SMILESO=C(O)c1ccc(Br)cc1
InChIInChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKeyTUXYZHVUPGXXQG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-bromobenzoic acid (CHEBI:60698) is a bromobenzoic acid (CHEBI:60714)
Incoming Relation(s)
4-bromobenzoyl group (CHEBI:60665) is substituent group from 4-bromobenzoic acid (CHEBI:60698)
IUPAC Name 
4-bromobenzoic acid
Synonyms  Source
4-Brom-benzösäureChEBI
4-carboxybromobenzeneChEBI
p-bromobenzoic acidNIST Chemistry WebBook
p-Bromobenzenecarboxylic acidChemIDplus
p-CarboxybromobenzeneChemIDplus
Registry NumbersSources
Reaxys:1906923Reaxys
CAS:586-76-5ChemIDplus
CAS:586-76-5NIST Chemistry WebBook
Citations