2-Chloro-6-fluoro-3-methylphenylboronic Acid

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Product Information

Molecular Formula
C7H7ClFO2B
Molecular Weight
188.39
Description
2-Chloro-6-fluoro-3-methylphenylboronic Acid (CAS# 352535-85-4) is a useful research chemical.
Synonyms
(2-chloro-6-fluoro-3-methylphenyl)boronic acid; (2-chloro-6-fluoro-3-methylphenyl)boronic acid
IUPAC Name
(2-chloro-6-fluoro-3-methylphenyl)boronic acid
SMILES
B(C1=C(C=CC(=C1Cl)C)F)(O)O
InChI
InChI=1S/C7H7BClFO2/c1-4-2-3-5(10)6(7(4)9)8(11)12/h2-3,11-12H,1H3
InChI Key
FOZVMQJCNIKFOB-UHFFFAOYSA-N
Boiling Point
321.5 °C at 760 mmHg
Melting Point
150-154 °C (lit.)
Density
1.35 g/cm3
LogP
0.46730

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
188.0211655 g/mol
Monoisotopic Mass
188.0211655 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
158
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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