2-Chloroquinoline-3-boronic acid

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Molecular Formula:

C9H7BClNO2

Molecular Weight:

207.42

CAS Number:

128676-84-6

Catalog Number:

128676-84-6

Product Information

Molecular Formula:

C9H7BClNO2

Molecular Weight:

207.42

Description

Reactant for:• Preparation of pyrazolopyrimidinamine derivatives as inhibitors of tyrosine and phosphinositide kinase
May contain varying amounts of anhydride

Synonyms

AKOS BRN-0209; 2-CHLOROQUINOLINE-3-BORONIC ACID; (2-CHLOROQUINOLIN-3-YL)BORONIC ACID; 2-CHLORO-3-QUINOLYL BORONIC ACID; 2-Chloro-3-quinoline boronic acid

IUPAC Name

(2-chloroquinolin-3-yl)boronic acid

Canonical SMILES

B(C1=CC2=CC=CC=C2N=C1Cl)(O)O

InChI

InChI=1S/C9H7BClNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h1-5,13-14H

InChI Key

JAQXYUOPSOXQCG-UHFFFAOYSA-N

Boiling Point

426.2°C at 760 mmHg

Purity

95%

Density

1.42 g/cm3

Appearance

White to tan solid

Storage

2-8°C

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

207.0258363 g/mol

Monoisotopic Mass

207.0258363 g/mol

Topological Polar Surface Area

53.4Å²

Heavy Atom Count

Formal Charge

Complexity

205

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-Chloroquinoline-3-boronic acid

Product Information

Computed Properties

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