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CHEBI:166850 - 3-bromobenzoic acid

ChEBI IDCHEBI:166850
ChEBI Name3-bromobenzoic acid
Stars
DefinitionA bromobenzoic acid carrying a single bromo subsituent at the 3-position.
Last Modified16 November 2020
Submittereladnoor
DownloadsMolfile
FormulaC7H5BrO2
Net Charge0
Average Mass201.019
Monoisotopic Mass199.94729
SMILESO=C(O)c1cccc(Br)c1
InChIInChI=1S/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChIKeyVOIZNVUXCQLQHS-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)
3-bromobenzoic acid (CHEBI:166850) is a bromobenzoic acid (CHEBI:60714)
IUPAC Name 
3-bromobenzoic acid
Synonyms  Source
m-bromobenzoic acidChemIDplus
benzoic acid, 3-bromo-ChemIDplus
Registry NumbersSources
Reaxys:2041792Reaxys
CAS:585-76-2ChemIDplus
CAS:585-76-2NIST Chemistry WebBook
Citations