trans-2-(4-Chlorophenyl)vinylboronic Acid

Product Information

Molecular Formula:
C8H8ClO2B
Molecular Weight:
182.41
Description
Reactant involved in: Synthesis of biarylketones and phthalides; Trifluoromethylation; Asymmetrical Michael addition for preparation of chromanes; Cobalt-catalyzed coupling to vinyl nitrogen containing heteroaromatic compounds; 1,2 and 1,4-Addition reactions with o-hydroxycinnamaldehydes; Petasis reactions.
Synonyms
[(E)-2-(4-chlorophenyl)ethenyl]boronic acid; [(E)-2-(4-chlorophenyl)ethenyl]boronic acid
IUPAC Name
[(E)-2-(4-chlorophenyl)ethenyl]boronic acid
Canonical SMILES
B(C=CC1=CC=C(C=C1)Cl)(O)O
InChI
InChI=1S/C8H8BClO2/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-6,11-12H/b6-5+
InChI Key
HWSDRAPTZRYXHN-AATRIKPKSA-N
Boiling Point
356.7 °C at 760 mmHg
Melting Point
165 °C (dec.) (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.277 g/cm3
Appearance
Solid
LogP
1.36520

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
182.0305874 g/mol
Monoisotopic Mass
182.0305874 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
153
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)

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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