3-Nitrophenylboronic acid MIDA ester

Inquiry

Molecular Formula:

C11H11BN2O6

Molecular Weight:

278.03

CAS Number:

1311484-45-3

Catalog Number:

1311484-45-3

Product Information

Molecular Formula:

C11H11BN2O6

Molecular Weight:

278.03

Description

Suzuki Cross-Coupling with MIDA Boronates

Synonyms

6-Methyl-2-(3-nitrophenyl)-1,3,6,2-dioxazaborocane-4,8-dione

IUPAC Name

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

Canonical SMILES

B1(OC(=O)CN(CC(=O)O1)C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H11BN2O6/c1-13-6-10(15)19-12(20-11(16)7-13)8-3-2-4-9(5-8)14(17)18/h2-5H,6-7H2,1H3

InChI Key

COEHPTUYNRXODY-UHFFFAOYSA-N

Melting Point

211-215 °C

Flash Point

Not applicable

Purity

97%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

278.0710162 g/mol

Monoisotopic Mass

278.0710162 g/mol

Topological Polar Surface Area

102Å²

Heavy Atom Count

Formal Charge

Complexity

392

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-Nitrophenylboronic acid MIDA ester

Product Information

Computed Properties

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