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5-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

5-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

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Molecular Formula:

C13H16BBrN2O2

Molecular Weight:

322.99

CAS Number:

1072152-50-1

Catalog Number:

1072152-50-1

Product Information

Molecular Formula:

C13H16BBrN2O2

Molecular Weight:

322.99

Description

5-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine (CAS# 1072152-50-1) is a useful research chemical.

Synonyms

5-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

IUPAC Name

5-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CNC3=NC=C(C=C23)Br

InChI

InChI=1S/C13H16BBrN2O2/c1-12(2)13(3,4)19-14(18-12)10-7-17-11-9(10)5-8(15)6-16-11/h5-7H,1-4H3,(H,16,17)

InChI Key

HBAJAQXOPJTWPI-UHFFFAOYSA-N

Flash Point

Not applicable

Purity

95 %

Appearance

Solid

Storage

Sealed in dry, 2-8 °C

LogP

2.62460

Safety Information

Hazards

H301

Precautionary Statement

P301 + P310

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

322.04882 g/mol

Monoisotopic Mass

322.04882 g/mol

Topological Polar Surface Area

47.1Å²

Heavy Atom Count

Formal Charge

Complexity

351

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

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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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5-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

Product Information

Safety Information

Computed Properties

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