2-Ethoxy-1-Naphthaleneboronic Acid

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Molecular Formula:

C12H13O3B

Molecular Weight:

216.04

CAS Number:

148345-64-6

Catalog Number:

148345-64-6

Product Information

Molecular Formula:

C12H13O3B

Molecular Weight:

216.04

Description

A reactant for Pd-catalyzed Suzuki-Miyaura reaction.

Synonyms

2-Ethoxynaphthalen-1-ylboronic acid; 2-Ethoxy-1-naphthylboronic acid

IUPAC Name

(2-ethoxynaphthalen-1-yl)boronic acid

Canonical SMILES

B(C1=C(C=CC2=CC=CC=C12)OCC)(O)O

InChI

InChI=1S/C12H13BO3/c1-2-16-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15/h3-8,14-15H,2H2,1H3

InChI Key

QUDVXFWSKXUSMY-UHFFFAOYSA-N

Melting Point

102-106 °C (dec.) (lit.)

Purity

98 %

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

216.0957744 g/mol

Monoisotopic Mass

216.0957744 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

222

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-Ethoxy-1-Naphthaleneboronic Acid

Product Information

Computed Properties

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