1H-Indene-2-boronic acid pinacol ester

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Molecular Formula:

C15H19BO2

Molecular Weight:

242.12

CAS Number:

749869-98-5

Catalog Number:

749869-98-5

Product Information

Molecular Formula:

C15H19BO2

Molecular Weight:

242.12

Description

1H-Indene-2-boronic acid pinacol ester, a chemical garniture utilized as a determinant constituent in the formulation of pharmaceutical compounds, leverages an integral significance in biomedical fields. Predominantly, it is employed to contrive medicinal agents that combat diverse cardiovascular pathologies and inflammatory conditions.

Synonyms

2-(1H-Inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

IUPAC Name

2-(1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=CC=CC=C3C2

InChI

InChI=1S/C15H19BO2/c1-14(2)15(3,4)18-16(17-14)13-9-11-7-5-6-8-12(11)10-13/h5-9H,10H2,1-4H3

InChI Key

GHLNFPJNICWOHP-UHFFFAOYSA-N

Melting Point

72-80 °C

Flash Point

Not applicable

Purity

97%

Storage

2-8°C

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

242.1478100 g/mol

Monoisotopic Mass

242.1478100 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

357

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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1H-Indene-2-boronic acid pinacol ester

Product Information

Computed Properties

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