3-Bromo-2-isopropoxy-5-methylphenylboronic acid

Inquiry

Molecular Formula:

C10H14BBrO3

Molecular Weight:

272.93

CAS Number:

870718-01-7

Catalog Number:

870718-01-7

Product Information

Molecular Formula:

C10H14BBrO3

Molecular Weight:

272.93

Description

3-Bromo-2-isopropoxy-5-methylphenylboronic acid is a profoundly versatile compound that renowned and widely exploited in the realm of biomedicine due to its remarkable potential in combating a plethora of maladies. Harnessing the inherent power of its boronic acid moiety, this versatile compound demonstrates a formidable ability to impede the catalytic activity of specific proteases that underlie the ominous onset of tumorigenesis and afflictions of the neurological realm.

Synonyms

3-Bromo-2-isopropoxy-5-methylphenyl)boronic acid; (3-bromo-5-methyl-2-propan-2-yloxyphenyl)boronic acid; 3-BROMO-2-ISOPROPXY-5-METHYLPHENYLBORONIC ACID; (3-Bromo-2-isopropoxy-5-methylphenyl)boronicacid

IUPAC Name

(3-bromo-5-methyl-2-propan-2-yloxyphenyl)boronic acid

Canonical SMILES

B(C1=CC(=CC(=C1OC(C)C)Br)C)(O)O

InChI

InChI=1S/C10H14BBrO3/c1-6(2)15-10-8(11(13)14)4-7(3)5-9(10)12/h4-6,13-14H,1-3H3

InChI Key

VTDMHYFQQWORBC-UHFFFAOYSA-N

Melting Point

96-101 °C (lit.)

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

272.02194 g/mol

Monoisotopic Mass

272.02194 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

201

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-Bromo-2-isopropoxy-5-methylphenylboronic acid

Product Information

Computed Properties

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