Oxiranyl boronic acid MIDA ester

Inquiry

Molecular Formula:

C7H10BNO5

Molecular Weight:

198.97

CAS Number:

1152427-91-2

Catalog Number:

1152427-91-2

Product Information

Molecular Formula:

C7H10BNO5

Molecular Weight:

198.97

Description

Suzuki Cross-Coupling with MIDA Boronates

Synonyms

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

IUPAC Name

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

Canonical SMILES

B1(OC(=O)CN(CC(=O)O1)C)C2CO2

InChI

InChI=1S/C7H10BNO5/c1-9-2-6(10)13-8(5-4-12-5)14-7(11)3-9/h5H,2-4H2,1H3

InChI Key

USSYHTHDUBKRQF-UHFFFAOYSA-N

Melting Point

188-193 °C

Flash Point

Not applicable

Purity

95%

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

199.0652026 g/mol

Monoisotopic Mass

199.0652026 g/mol

Topological Polar Surface Area

68.4Å²

Heavy Atom Count

Formal Charge

Complexity

251

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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Oxiranyl boronic acid MIDA ester

Product Information

Safety Information

Computed Properties

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