2,6-Diisopropylphenylboronic Acid

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Molecular Formula:

C12H19O2B

Molecular Weight:

206.09

CAS Number:

363166-79-4

Catalog Number:

363166-79-4

Product Information

Molecular Formula:

C12H19O2B

Molecular Weight:

206.09

Description

Reactant for: Synthesis of selective inhibitors of dihydrofolate reductase from Cryptosporidium; Synthesis of a boro aluminoxane capable of activating a zirconocene ethene polymerization catalyst.

Synonyms

[2,6-di(propan-2-yl)phenyl]boronic acid; [2,6-di(propan-2-yl)phenyl]boronic acid

IUPAC Name

[2,6-di(propan-2-yl)phenyl]boronic acid

Canonical SMILES

B(C1=C(C=CC=C1C(C)C)C(C)C)(O)O

InChI

InChI=1S/C12H19BO2/c1-8(2)10-6-5-7-11(9(3)4)12(10)13(14)15/h5-9,14-15H,1-4H3

InChI Key

UPXGMXMTUMCLGD-UHFFFAOYSA-N

Melting Point

167-172 °C

Flash Point

Not applicable

Appearance

White to beige powder or solid

LogP

1.61320

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

206.1478100 g/mol

Monoisotopic Mass

206.1478100 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

176

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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2,6-Diisopropylphenylboronic Acid

Product Information

Computed Properties

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