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

Inquiry

Molecular Formula:

C9H10BF3O3

Molecular Weight:

234.0

CAS Number:

871125-70-1

Catalog Number:

871125-70-1

Product Information

Molecular Formula:

C9H10BF3O3

Molecular Weight:

234.0

Description

3-Propoxy-2,4,6-trifluorophenylboronic acid is an essential compound in biomedicine used for the development of novel drugs targeting various diseases. With its unique structure, 3-Propoxy-2,4,6-trifluorophenylboronic acid demonstrates promising potential in treating cancer, inflammatory disorders, and autoimmune diseases by inhibiting specific biological pathways. Its availability ensures reliable research and advancements in the biomedical industry.

Synonyms

(2,4,6-trifluoro-3-propoxyphenyl)boronic acid; 3-Propoxy-2,4,6-trifluorophenylboronic acid; (2,4,6-Trifluoro-3-propoxyphenyl)boronicacid; 3-Propoxy-2,4,6-trifluorobenzeneboronic acid; B-(2,4,6-Trifluoro-3-propoxy-phenyl)boronic acid; J-519630; [2,4,6-tris(fluoranyl)-3-propoxy-phenyl]boronic acid

IUPAC Name

(2,4,6-trifluoro-3-propoxyphenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C9H10BF3O3/c1-2-3-16-9-6(12)4-5(11)7(8(9)13)10(14)15/h4,14-15H,2-3H2,1H3

InChI Key

FRGFAHSCPSYBHI-UHFFFAOYSA-N

Melting Point

123-126 °C

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

234.0675088 g/mol

Monoisotopic Mass

234.0675088 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

220

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

Product Information

Computed Properties

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