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(1-(tert-Butoxycarbonyl)-5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)boronic acid

(1-(tert-Butoxycarbonyl)-5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)boronic acid

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Molecular Formula:

C12H14BClN2O4

Molecular Weight:

296.51

Product Information

Molecular Formula:

C12H14BClN2O4

Molecular Weight:

296.51

Description

(1-(tert-Butoxycarbonyl)-5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)boronic acid is an esoteric pharmaceutical intermediate that hinges its prominence on its boronic acid moiety that, rather intriguingly, assumes a central role in synthesizing a plethora of pharmaceutical molecules, specifically those with applicability in the challenging field of cancer therapeutics.

Synonyms

(1-(tert-Butoxycarbonyl)-5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)boronic acid; (1-(tert-Butoxycarbonyl)-5-chloro-1H-pyrrolo-[3,2-b]pyridin-3-yl)boronic acid; [5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-b]pyridin-3-yl]boronic acid; (1-(tert-Butoxycarbonyl)-5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)boronic acid

IUPAC Name

[5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-b]pyridin-3-yl]boronic acid

Canonical SMILES

B(C1=CN(C2=C1N=C(C=C2)Cl)C(=O)OC(C)(C)C)(O)O

InChI

InChI=1S/C12H14BClN2O4/c1-12(2,3)20-11(17)16-6-7(13(18)19)10-8(16)4-5-9(14)15-10/h4-6,18-19H,1-3H3

InChI Key

FVVZLTHHMQQXQH-UHFFFAOYSA-N

Flash Point

Not applicable

Safety Information

Hazards

H317

Precautionary Statement

P280

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

296.0735148 g/mol

Monoisotopic Mass

296.0735148 g/mol

Topological Polar Surface Area

84.6Å²

Heavy Atom Count

Formal Charge

Complexity

377

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-(tert-Butoxycarbonyl)-5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)boronic acid

Product Information

Safety Information

Computed Properties

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