2-fluoro-3-methoxyphenylboronic acid MIDA ester

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Molecular Formula:

C12H13BFNO5

Molecular Weight:

281.04

Product Information

Molecular Formula:

C12H13BFNO5

Molecular Weight:

281.04

Description

2-Fluoro-3-methoxyphenylboronic acid MIDA ester is a boronic acid derivative extensively used in biomedical research. It plays a role in treating diseases through palladium-catalyzed cross-coupling reactions, a common method for synthesizing various pharmaceutical compounds.

IUPAC Name

2-(2-fluoro-3-methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

Canonical SMILES

B1(OC(=O)CN(CC(=O)O1)C)C2=C(C(=CC=C2)OC)F

InChI

InChI=1S/C12H13BFNO5/c1-15-6-10(16)19-13(20-11(17)7-15)8-4-3-5-9(18-2)12(8)14/h3-5H,6-7H2,1-2H3

InChI Key

DEOGQIAPGXNRBR-UHFFFAOYSA-N

Melting Point

223 °C

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

281.0870808 g/mol

Monoisotopic Mass

281.0870808 g/mol

Topological Polar Surface Area

65.1Å²

Heavy Atom Count

Formal Charge

Complexity

363

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-3-methoxyphenylboronic acid MIDA ester

Product Information

Computed Properties

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