3-Methoxy-2,4,6-trifluorophenylboronic acid

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Product Information

Molecular Formula
C7H6BF3O3
Description
3-Methoxy-2,4,6-trifluorophenylboronic acid is a biomedical small molecule entity that is widely used in drug development for oncology, inflammation and metabolic diseases.
Synonyms
(2,4,6-TRIFLUORO-3-METHOXYPHENYL)BORONIC ACID; 2,4,6-TRIFLUORO-3-METHOXYPHENYLBORONIC ACID; B-(2,4,6-Trifluoro-3-methoxy-phenyl)boronic acid; (2,4,6-TRIFLUORO-3-METHOXYPHENYL)BORONICACID
IUPAC Name
(2,4,6-trifluoro-3-methoxyphenyl)boronic acid
SMILES
B(C1=C(C(=C(C=C1F)F)OC)F)(O)O
InChI
InChI=1S/C7H6BF3O3/c1-14-7-4(10)2-3(9)5(6(7)11)8(12)13/h2,12-13H,1H3
InChI Key
RDORBPOVXUMTLU-UHFFFAOYSA-N
Boiling Point
315.9°C at 760 mmHg
Purity
96%
Density
1.43g/cm3
Appearance
White to off-white powder, crystals or crystalline powder and/or chunks

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
2
Exact Mass
206.0362087 g/mol
Monoisotopic Mass
206.0362087 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
195
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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