3-Isobutoxyphenylboronic acid

Inquiry

Molecular Formula:

C10H15BO3

CAS Number:

849052-21-7

Catalog Number:

849052-21-7

Product Information

Molecular Formula:

C10H15BO3

Description

3-Isobutoxyphenylboronic acid is widely used in drug formulations and research for cancer, diabetes and arthritis.

Synonyms

3-Isobutoxyphenylboronicacid; [3-(2-METHYLPROPOXY)PHENYL]BORONIC ACID; (3-Isobutoxyphenyl)boronic acid; 3-isobutoxyphenyl boronic acid; [3-(Isobutoxy)phenyl]boronic acid

IUPAC Name

[3-(2-methylpropoxy)phenyl]boronic acid

Canonical SMILES

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

InChI

InChI=1S/C10H15BO3/c1-8(2)7-14-10-5-3-4-9(6-10)11(12)13/h3-6,8,12-13H,7H2,1-2H3

InChI Key

TZOSYEUNKIDTBY-UHFFFAOYSA-N

Boiling Point

344°C at 760 mmHg

Melting Point

90-95°C(lit.)

Purity

98%

Density

1.08g/cm3

Safety Information

Hazards

H315-H319-H335

Precautionary Statement

P261-P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

194.1114245 g/mol

Monoisotopic Mass

194.1114245 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

161

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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3-Isobutoxyphenylboronic acid

Product Information

Safety Information

Computed Properties

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