Potassium 1-Boc-1H-indole-5-trifluoroborate

Inquiry

Molecular Formula:

C13H14BF3KNO2

Molecular Weight:

323.16

CAS Number:

1050440-92-0

Catalog Number:

1050440-92-0

Product Information

Molecular Formula:

C13H14BF3KNO2

Molecular Weight:

323.16

Description

Potassium 1-Boc-1H-indole-5-trifluoroborate is a chemical compound extensively employed in the biomedical industry. It exhibits its indispensability and versatility across manifold applications. As a fundamental building block, it seamlessly integrates into the synthesis of pharmaceutical drugs and organic molecules, imparting immense value to drug discovery endeavors. Notably, its paramount significance arises from its potential in revolutionizing the treatment landscape of ailments encompassing cancer, neurological disorders, and infectious maladies.

Synonyms

Potassium (1-(tert-butoxycarbonyl)-1H-indol-5-yl)trifluoroborate; Potassium 1-Boc-1H-indole-5-trifluoroborate, 97%; Potassium [1-(tert-butoxycarbonyl)-1H-indol-5-yl](trifluoro)borate(1-); potassium {1-[(tert-butoxy)carbonyl]-1H-indol-5-yl}trifluoroboranuide

IUPAC Name

potassiumtrifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-5-yl]boranuide

Canonical SMILES

[B-](C1=CC2=C(C=C1)N(C=C2)C(=O)OC(C)(C)C)(F)(F)F.[K+]

InChI

InChI=1S/C13H14BF3NO2.K/c1-13(2,3)20-12(19)18-7-6-9-8-10(14(15,16)17)4-5-11(9)18/h4-8H,1-3H3/q-1+1

InChI Key

WQXAJDXDSOGMRW-UHFFFAOYSA-N

Melting Point

190-195 °C

Flash Point

Not applicable

Purity

97%

Safety Information

Hazards

H302 + H332 - H315

Precautionary Statement

P301 + P312 + P330 - P302 + P352 - P304 + P340 + P312

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

323.0706748 g/mol

Monoisotopic Mass

323.0706748 g/mol

Topological Polar Surface Area

31.2Å²

Heavy Atom Count

Formal Charge

Complexity

387

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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Potassium 1-Boc-1H-indole-5-trifluoroborate

Product Information

Safety Information

Computed Properties

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