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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:44923 - phenylboronic acid
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ChEBI Ontology
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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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Molfile
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Molfile
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Formula
C6H7BO2
Net Charge
0
Average Mass
121.92958
Monoisotopic Mass
122.05391
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 (Br
o
nsted 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