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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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 (Bronsted 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