CHEBI:44923 - phenylboronic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name phenylboronic acid
ChEBI ID CHEBI:44923
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:38271, CHEBI:44922
Supplier Information
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Formula C6H7BO2
Net Charge 0
Average Mass 121.92958
Monoisotopic Mass 122.054
InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
InChIKey HXITXNWTGFUOAU-UHFFFAOYSA-N
SMILES OB(O)c1ccccc1
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 phenylboronic acid (CHEBI:44923) has functional parent boronic acid (CHEBI:38267)
phenylboronic acid (CHEBI:44923) is a boronic acids (CHEBI:38269)
Incoming 3-acetylphenylboronic acid (CHEBI:86552) has functional parent phenylboronic acid (CHEBI:44923)
4-fluorophenylboronic acid (CHEBI:48661) has functional parent phenylboronic acid (CHEBI:44923)
IUPAC Names
phenylboranediol
phenylboronic acid
Synonyms Sources
benzeneboronic acid ChemIDplus
Benzeneboronic acid KEGG COMPOUND
dihydroxy(phenyl)borane ChemIDplus
PHENYL BORONIC ACID PDBeChem
phenyldihydroxyborane ChemIDplus
Manual Xrefs Databases
C16200 KEGG COMPOUND
DB01795 DrugBank
EP1849762 Patent
PBC PDBeChem
View more database links
Registry Numbers Types Sources
3328 Gmelin Registry Number Gmelin
970972 Beilstein Registry Number Beilstein
98-80-6 CAS Registry Number ChemIDplus
Last Modified
20 July 2015