2-Bromo-3-ethoxy-6-fluorophenylboronic acid

Inquiry

Molecular Formula:

C8H9BBrFO3

Molecular Weight:

262.87

CAS Number:

849052-19-3

Catalog Number:

849052-19-3

Product Information

Molecular Formula:

C8H9BBrFO3

Molecular Weight:

262.87

Description

2-Bromo-3-ethoxy-6-fluorophenylboronic Acid is a specific reagent used in medicinal chemistry and drug development. It has high utility in Suzuki-Miyaura cross-coupling reactions, contributing to the synthesis of bioactive compounds targeted towards disease treatment, including various cancers.

Synonyms

2-bromo-3-ethoxy-6-fluorophenyl)boronic acid; (2-Bromo-3-ethoxy-6-fluoro-phenyl)boronic acid; diisobutylhexahydrophthalate; (2-Bromo-3-ethoxy-6-fluorophenyl)boronicacid

IUPAC Name

(2-bromo-3-ethoxy-6-fluorophenyl)boronic acid

Canonical SMILES

B(C1=C(C=CC(=C1Br)OCC)F)(O)O

InChI

InChI=1S/C8H9BBrFO3/c1-2-14-6-4-3-5(11)7(8(6)10)9(12)13/h3-4,12-13H,2H2,1H3

InChI Key

XMTOUDRCWLYEHL-UHFFFAOYSA-N

Melting Point

120-125 °C (lit.)

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

261.98122 g/mol

Monoisotopic Mass

261.98122 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

184

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-Bromo-3-ethoxy-6-fluorophenylboronic acid

Product Information

Computed Properties

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