(E)-(3-Fluorostyryl)boronic Acid

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Product Information

Molecular Formula:
C8H8FO2B
Molecular Weight:
165.96
Description
Reactant for: Enantioselective diastereoselective synthesis of tetracyclins via metal-catalyzed ring opening of meso-oxabicyclic alkenes followed by hydrogenation and Friedel-Crafts alkylation; Palladium-catalyzed Suzuki-Miyaura coupling reactions; Preparation of anticonvulsant agents; Preparation of piperazinyl pyrimidylhydroxamic acid deriatives as histone deacetylase inhibitors and antitumor agents; Preparation of ethyl-substituted conjugated dienoates and dienones by stereoselective Suzuki cross-coupling.
Synonyms
[(E)-2-(3-fluorophenyl)ethenyl]boronic acid; [(E)-2-(3-fluorophenyl)ethenyl]boronic acid
IUPAC Name
[(E)-2-(3-fluorophenyl)ethenyl]boronic acid
Canonical SMILES
B(C=CC1=CC(=CC=C1)F)(O)O
InChI
InChI=1S/C8H8BFO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,11-12H/b5-4+
InChI Key
ONXKUGHKGCSZJO-SNAWJCMRSA-N
Boiling Point
313.9 °C at 760 mmHg
Melting Point
184-186 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.228 g/cm3
Appearance
Solid
LogP
0.85090

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
166.0601378 g/mol
Monoisotopic Mass
166.0601378 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
161
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
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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