4-Methoxyphenylboronic acid MIDA ester

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Molecular Formula:

C12H14BNO5

Molecular Weight:

263.05

Product Information

Molecular Formula:

C12H14BNO5

Molecular Weight:

263.05

Description

Suzuki Cross-Coupling with MIDA Boronates

Synonyms

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

IUPAC Name

1-(4-methoxyphenyl)-5-methyl-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane-3,7-dione

Canonical SMILES

[B-]12([N+](CC(=O)O1)(CC(=O)O2)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C12H14BNO5/c1-14-7-11(15)18-13(14,19-12(16)8-14)9-3-5-10(17-2)6-4-9/h3-6H,7-8H2,1-2H3

InChI Key

NXQNSYDUSOPFRY-UHFFFAOYSA-N

Melting Point

281-286 °C

Purity

97%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

263.0965027 g/mol

Monoisotopic Mass

263.0965027 g/mol

Topological Polar Surface Area

61.8Å²

Heavy Atom Count

Formal Charge

Complexity

398

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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4-Methoxyphenylboronic acid MIDA ester

Product Information

Computed Properties

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