4-Bromo-2,6-difluorophenylboronic Acid

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Product Information

Molecular Formula
C6H4BrF2O2B
Molecular Weight
236.81
Description
4-Bromo-2,6-difluorophenylboronic Acid (CAS# 352535-81-0) is a useful research chemical.
Synonyms
(4-bromo-2,6-difluorophenyl)boronic acid; (4-bromo-2,6-difluorophenyl)boronic acid
IUPAC Name
(4-bromo-2,6-difluorophenyl)boronic acid
SMILES
B(C1=C(C=C(C=C1F)Br)F)(O)O
InChI
InChI=1S/C6H4BBrF2O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,11-12H
InChI Key
QHYNAULNEIXXPC-UHFFFAOYSA-N
Boiling Point
298.4 °C at 760 mmHg
Melting Point
155-160 °C (lit.)
Density
1.82 g/cm3
LogP
0.40710

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
235.94558 g/mol
Monoisotopic Mass
235.94558 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
149
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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