4-Bromo-2-fluorophenylboronic acid

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Product Information

Molecular Formula
C6H5BBrFO2
Molecular Weight
218.82
Description
4-Bromo-2-fluorophenylboronic acid (CAS# 216393-64-5) is a useful research chemical.
Synonyms
(4-bromo-2-fluorophenyl)boronic acid
IUPAC Name
(4-bromo-2-fluorophenyl)boronic acid
SMILES
B(C1=C(C=C(C=C1)Br)F)(O)O
InChI
InChI=1S/C6H5BBrFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H
InChI Key
PKZHIIVZRPUZSU-UHFFFAOYSA-N
Boiling Point
310.6 °C at 760 mmHg
Flash Point
Not applicable
Purity
98 %
Density
1.75 g/cm3
Appearance
White solid
LogP
0.26800

Safety Information

Hazards
H302 - H319
Precautionary Statement
P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
217.95500 g/mol
Monoisotopic Mass
217.95500 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
136
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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