3-Iodophenylboronic acid MIDA ester

Inquiry

Molecular Formula:

C11H11BINO4

Molecular Weight:

358.92

CAS Number:

1287221-37-7

Catalog Number:

1287221-37-7

Product Information

Molecular Formula:

C11H11BINO4

Molecular Weight:

358.92

Description

3-Iodophenylboronic acid MIDA ester holds immense importance due to its manifold applications in pharmaceutical synthesis and drug advancement. Exhibiting a diverse chemical composition, this ester assumes a multifaceted role in combating a plethora of ailments, encompassing cancer, diabetes, and inflammation.

Synonyms

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

IUPAC Name

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

Canonical SMILES

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

InChI

InChI=1S/C11H11BINO4/c1-14-6-10(15)17-12(18-11(16)7-14)8-3-2-4-9(13)5-8/h2-5H,6-7H2,1H3

InChI Key

GEXCTPQCJMYLNP-UHFFFAOYSA-N

Melting Point

256-260 °C

Flash Point

Not applicable

Purity

97%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

358.98259 g/mol

Monoisotopic Mass

358.98259 g/mol

Topological Polar Surface Area

55.8Å²

Heavy Atom Count

Formal Charge

Complexity

321

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-Iodophenylboronic acid MIDA ester

Product Information

Computed Properties

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