2-FLUORO-5-ISOPROPOXYPHENYLBORONIC ACID

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Molecular Formula:

C9H12BFO3

CAS Number:

849062-30-2

Catalog Number:

849062-30-2

Product Information

Molecular Formula:

C9H12BFO3

Description

2-Fluoro-5-isopropoxyphenylboronic Acid is a biomedical compound primarily used in the pharmaceutical industry. It's an essential precursor for the synthesis of novel drug candidates targeting cardiovascular diseases, specifically hypertension, and heart failure treatment protocols.

Synonyms

(2-Fluoro-5-isopropoxyphenyl)boronic acid; 2-FLUORO-5-ISOPROPROXYPHENYLBORONIC ACID; (2-fluoro-5-propan-2-yloxyphenyl)boronic acid; (2-Fluoro-5-isopropoxyphenyl)boronicacid; [2-FLUORO-5-(PROPAN-2-YLOXY)PHENYL]BORONIC ACID; 2-fluoro5-isopropoxyphenylboronic acid; {2-Fluoro-5-[(propan-2-yl)oxy]phenyl}boronic acid

IUPAC Name

(2-fluoro-5-propan-2-yloxyphenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C9H12BFO3/c1-6(2)14-7-3-4-9(11)8(5-7)10(12)13/h3-6,12-13H,1-2H3

InChI Key

IEBGLDYEUYTUMZ-UHFFFAOYSA-N

Boiling Point

343.8°C at 760 mmHg

Melting Point

85-90°C(lit.)

Purity

97%

Density

1.17g/cm3

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

198.0863526 g/mol

Monoisotopic Mass

198.0863526 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

177

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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2-FLUORO-5-ISOPROPOXYPHENYLBORONIC ACID

Product Information

Computed Properties

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