3-Bromo-5-fluoro-2-methoxyphenylboronic acid

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Product Information

Molecular Formula:
C7H7BBrFO3
Molecular Weight:
248.84
Description
3-Bromo-5-fluoro-2-methoxyphenylboronic acid is an intriguing compound that has piqued the interest of the biomedical industry. Imbued with the distinctive traits inherent in boron-containing compounds, it serves as an invaluable asset in the realm of drug discovery. It has good potential in areas such as cancer research, diabetes treatment and inflammation research.
Synonyms
(3-Bromo-5-fluoro-2-methoxyphenyl)boronic acid; 3-BROMO-5-FLUORO-2-METHOXYPHENYLBORONIC&; (3-Bromo-5-fluoro-2-methoxyphenyl)boronicacid; (3-Bromo-5-fluoro-2-methoxyphenyl)-boronicacid; (3-Bromo-5-fluoro-2-methoxy-phenyl)boronic acid
IUPAC Name
(3-bromo-5-fluoro-2-methoxyphenyl)boronic acid
Canonical SMILES
B(C1=CC(=CC(=C1OC)Br)F)(O)O
InChI
InChI=1S/C7H7BBrFO3/c1-13-7-5(8(11)12)2-4(10)3-6(7)9/h2-3,11-12H,1H3
InChI Key
FUSHKJRKYBGAQH-UHFFFAOYSA-N

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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