CHEBI:44923 - phenylboronic acid

ChEBI IDCHEBI:44923
ChEBI Namephenylboronic acid
Stars
Secondary ChEBI IDsCHEBI:38271, CHEBI:44922
Last Modified20 July 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H7BO2
Net Charge0
Average Mass121.932
Monoisotopic Mass122.05391
SMILESOB(O)c1ccccc1
InChIInChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
InChIKeyHXITXNWTGFUOAU-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)
phenylboronic acid (CHEBI:44923) has functional parent boronic acid (CHEBI:38267)
phenylboronic acid (CHEBI:44923) is a boronic acids (CHEBI:38269)
Incoming Relation(s)
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  Source
benzeneboronic acidChemIDplus
Benzeneboronic acidKEGG COMPOUND
dihydroxy(phenyl)boraneChemIDplus
PHENYL BORONIC ACIDPDBeChem
phenyldihydroxyboraneChemIDplus
Manual XrefsDatabases
C16200KEGG COMPOUND
DB01795DrugBank
EP1849762Patent
PBCPDBeChem
Registry NumbersSources
Gmelin:3328Gmelin
Beilstein:970972Beilstein
CAS:98-80-6KEGG COMPOUND
CAS:98-80-6ChemIDplus