3,5-Difluoro-4-formylphenylboronic acid

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Product Information

Molecular Formula
C7H5BF2O3
Molecular Weight
185.92
Description
Reactant for: Preparation of pyrazolopyrimidinamine derivatives as tyrosine and phosphinositide kinase inhibitors; Preparation of boronate based D-glucose sensors.
Synonyms
(3,5-difluoro-4-formylphenyl)boronic acid
IUPAC Name
(3,5-difluoro-4-formylphenyl)boronic acid
SMILES
B(C1=CC(=C(C(=C1)F)C=O)F)(O)O
InChI
InChI=1S/C7H5BF2O3/c9-6-1-4(8(12)13)2-7(10)5(6)3-11/h1-3,12-13H
InChI Key
XWZOKATWICIEMU-UHFFFAOYSA-N
Boiling Point
342.1 °C at 760 mmHg
Melting Point
255-260 °C
Purity
98 %
Density
1.42 g/cm3
LogP
-0.54290

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
186.0299805 g/mol
Monoisotopic Mass
186.0299805 g/mol
Topological Polar Surface Area
57.5Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
179
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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