n-Butylboronic acid MIDA ester

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Molecular Formula:

C9H16BNO4

Molecular Weight:

213.04

CAS Number:

1104637-43-5

Catalog Number:

1104637-43-5

Product Information

Molecular Formula:

C9H16BNO4

Molecular Weight:

213.04

Description

Representative Applications of MIDA boronates

Synonyms

2-butyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione; n-ButylboronicacidMIDAester; ZINC170161444; LP067243; 2-BUTYL-6-METHYL-1,3,6,2-DIOXAZABOROCANE-4,8-DIONE; 1104637-43-5

IUPAC Name

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

Canonical SMILES

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

InChI

InChI=1S/C9H16BNO4/c1-3-4-5-10-14-8(12)6-11(2)7-9(13)15-10/h3-7H2,1-2H3

InChI Key

YVALLLRUHYHWPU-UHFFFAOYSA-N

Melting Point

122-128 °C

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

213.1172382 g/mol

Monoisotopic Mass

213.1172382 g/mol

Topological Polar Surface Area

55.8Å²

Heavy Atom Count

Formal Charge

Complexity

226

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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n-Butylboronic acid MIDA ester

Product Information

Computed Properties

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