6-Chloro-3-pyridinylboronic acid MIDA ester

Inquiry

Molecular Formula:

C10H10BClN2O4

Molecular Weight:

268.46

CAS Number:

1257642-71-9

Catalog Number:

1257642-71-9

Product Information

Molecular Formula:

C10H10BClN2O4

Molecular Weight:

268.46

Description

Suzuki Cross-Coupling with MIDA Boronates

Synonyms

2-(6-Chloro-3-pyridinyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione,2-Chloropyridine-5-boronic acid MIDA ester,6-Chloro-3-pyridineboronic acid MIDA ester

IUPAC Name

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

Canonical SMILES

B1(OC(=O)CN(CC(=O)O1)C)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C10H10BClN2O4/c1-14-5-9(15)17-11(18-10(16)6-14)7-2-3-8(12)13-4-7/h2-4H,5-6H2,1H3

InChI Key

PVUDAIRKNDZTBL-UHFFFAOYSA-N

Melting Point

222-226 °C

Purity

97%

Safety Information

Hazards

H315-H319-H335

Precautionary Statement

P261-P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

268.0422147 g/mol

Monoisotopic Mass

268.0422147 g/mol

Topological Polar Surface Area

68.7Å²

Heavy Atom Count

Formal Charge

Complexity

324

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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6-Chloro-3-pyridinylboronic acid MIDA ester

Product Information

Safety Information

Computed Properties

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