2-Bromo-6-fluoro-3-methoxyphenylboronic acid

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Product Information

Molecular Formula
C7H7BBrFO3
Description
2-Bromo-6-fluoro-3-methoxyphenylboronic acid is a specialized reagent in biomedical research, often utilized in palladium-catalyzed cross-coupling reactions. The substance has been implicated in the synthesis of various pharmaceuticals, including drugs targeted at fighting certain cancers and neurodegenerative diseases.
Synonyms
2-Bromo-6-fluoro-3-methoxybenzeneboronic acid
IUPAC Name
(2-bromo-6-fluoro-3-methoxyphenyl)boronic acid
SMILES
B(C1=C(C=CC(=C1Br)OC)F)(O)O
InChI
InChI=1S/C7H7BBrFO3/c1-13-5-3-2-4(10)6(7(5)9)8(11)12/h2-3,11-12H,1H3
InChI Key
WCXHRSAUPYPWHO-UHFFFAOYSA-N
Melting Point
130-135 °C
Purity
98%

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
247.96556 g/mol
Monoisotopic Mass
247.96556 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
172
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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