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4-ISOPROPOXY-2,3,5,6-TETRAFLUOROBENZENEBORONIC ACID

4-ISOPROPOXY-2,3,5,6-TETRAFLUOROBENZENEBORONIC ACID

Inquiry

Molecular Formula:

C9H9BF4O3

Molecular Weight:

251.9701

CAS Number:

871126-28-2

Catalog Number:

871126-28-2

Product Information

Molecular Formula:

C9H9BF4O3

Molecular Weight:

251.9701

Description

4-ISOPROPOXY-2,3,5,6-TETRAFLUOROBENZENEBORONIC ACID is a compound with remarkable versatility that finds its utility in the biomedical realm as a boronic acid derivative. Its widespread application spans across the development of diverse drugs and therapies. Being endowed with extraordinary reactivity and a distinctive structure, this compound assumes an auspicious disposition in the synthesis of pharmacological agents aimed at combatting an array of maladies, including but not limited to cancer and neurological disorders.

Synonyms

(2,3,5,6-Tetrafluoro-4-isopropoxyphenyl)boronic acid; (2,3,5,6-tetrafluoro-4-propan-2-yloxyphenyl)boronic acid; 4-Isopropoxy-2,3,5,6-tetrafluorobenzeneboronic acid; (2,3,5,6-Tetrafluoro-4-isopropoxyphenyl)-boronic acid; (2,3,5,6-Tetrafluoro-4-isopropoxyphenyl)boronicacid; (2,3,5,6-tetrafluoro-4-isopropoxy-phenyl)boronic acid; {2,3,5,6-Tetrafluoro-4-[(propan-2-yl)oxy]phenyl}boronic acid

IUPAC Name

(2,3,5,6-tetrafluoro-4-propan-2-yloxyphenyl)boronic acid

Canonical SMILES

B(C1=C(C(=C(C(=C1F)F)OC(C)C)F)F)(O)O

InChI

InChI=1S/C9H9BF4O3/c1-3(2)17-9-7(13)5(11)4(10(15)16)6(12)8(9)14/h3,15-16H,1-2H3

InChI Key

YOXGBYWSEKQTAW-UHFFFAOYSA-N

Boiling Point

306.6ºC at 760 mmHg

Melting Point

138-142ºC

Purity

98%

Density

1.38g/cm3

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

252.0580870 g/mol

Monoisotopic Mass

252.0580870 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

240

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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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4-ISOPROPOXY-2,3,5,6-TETRAFLUOROBENZENEBORONIC ACID

Product Information

Computed Properties

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