1-Methylindole-5-boronic Acid Pinacol Ester

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Molecular Formula:

C15H20NO2B

Molecular Weight:

257.14

CAS Number:

837392-62-8

Catalog Number:

837392-62-8

Product Information

Molecular Formula:

C15H20NO2B

Molecular Weight:

257.14

Description

1-Methylindole-5-boronic Acid Pinacol Ester (CAS# 837392-62-8) is a useful research chemical.

Synonyms

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

IUPAC Name

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

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C=C3)C

InChI

InChI=1S/C15H20BNO2/c1-14(2)15(3,4)19-16(18-14)12-6-7-13-11(10-12)8-9-17(13)5/h6-10H,1-5H3

InChI Key

JQLYKUPEQYNDFF-UHFFFAOYSA-N

Boiling Point

391.324 °C at 760 mmHg

Melting Point

110-114 °C (lit.)

Flash Point

Not applicable

Purity

97 %

Density

1.055 g/cm³

LogP

2.47750

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

257.1587090 g/mol

Monoisotopic Mass

257.1587090 g/mol

Topological Polar Surface Area

23.4Å²

Heavy Atom Count

Formal Charge

Complexity

342

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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1-Methylindole-5-boronic Acid Pinacol Ester

Product Information

Computed Properties

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