2-Pinacolateboryl Indole

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Molecular Formula:

C14H18BNO2

Molecular Weight:

243.11

CAS Number:

476004-81-6

Catalog Number:

476004-81-6

Product Information

Molecular Formula:

C14H18BNO2

Molecular Weight:

243.11

Description

2-Pinacolateboryl Indole is a compound widely employed in the biomedical industry and holds immense potential in developing drugs for a myriad of ailments including cancer, inflammation, and neurological disorders due to its distinctive structure and properties. This compound serves as an invaluable foundational unit in crafting innovative pharmaceuticals that precisely target molecular pathways, thus facilitating groundbreaking research within the domain of biomedicine.

Synonyms

2-PINACOLATEBORYL INDOLE; 2-((1H-Indol-2-yl)boryloxy)-3-hydroxy-2,3-dimethylbutanoic acid; 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole; 1H-Indole-2-boronic acid pinacol ester; Indole-2-boronic acid pinacol ester

IUPAC Name

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=CC=CC=C3N2

InChI

InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)12-9-10-7-5-6-8-11(10)16-12/h5-9,16H,1-4H3

InChI Key

IAQBURSQTCOSBP-UHFFFAOYSA-N

Boiling Point

396°C

Melting Point

84-85°C

Flash Point

Not applicable

Purity

96%

Density

1.11

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

243.1430590 g/mol

Monoisotopic Mass

243.1430590 g/mol

Topological Polar Surface Area

34.2Å²

Heavy Atom Count

Formal Charge

Complexity

316

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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2-Pinacolateboryl Indole

Product Information

Computed Properties

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