Cyclohexylboronic acid MIDA ester

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Molecular Formula:

C11H18BNO4

Molecular Weight:

239.08

CAS Number:

1104637-39-9

Catalog Number:

1104637-39-9

Product Information

Molecular Formula:

C11H18BNO4

Molecular Weight:

239.08

Description

Representative Applications of MIDA boronates

Synonyms

2-cyclohexyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione; CyclohexylboronicacidMIDAester; ZINC170162879; HE295219; 1104637-39-9

IUPAC Name

2-cyclohexyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

Canonical SMILES

B1(OC(=O)CN(CC(=O)O1)C)C2CCCCC2

InChI

InChI=1S/C11H18BNO4/c1-13-7-10(14)16-12(17-11(15)8-13)9-5-3-2-4-6-9/h9H,2-8H2,1H3

InChI Key

SLUNFPHQHGXTCG-UHFFFAOYSA-N

Melting Point

210-215 °C

Flash Point

Not applicable

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

239.1328882 g/mol

Monoisotopic Mass

239.1328882 g/mol

Topological Polar Surface Area

55.8Å²

Heavy Atom Count

Formal Charge

Complexity

284

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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Cyclohexylboronic acid MIDA ester

Product Information

Computed Properties

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