3-BROMO-2-PROPOXYPHENYLBORONIC ACID

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Molecular Formula:

C9H12BBrO3

CAS Number:

848779-86-2

Catalog Number:

848779-86-2

Product Information

Molecular Formula:

C9H12BBrO3

Description

3-Bromo-2-propoxyphenylboronic acid, an indispensable organic compound in the biomedical sector, finds extensive utility in the amalgamation of diverse therapeutic agents and medicinal entities, thereby facilitating the combat against afflictions encompassing malignancies, diabetes, and inflammatory maladies. Its distinctive molecular framework and properties endow it with paramount significance as a fundamental constituent within the realm of pharmaceutical exploration and advancement.

Synonyms

(3-bromo-2-propoxyphenyl)boronic acid; (3-bromo-2-propoxyphenyl)boronicacid

IUPAC Name

(3-bromo-2-propoxyphenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C9H12BBrO3/c1-2-6-14-9-7(10(12)13)4-3-5-8(9)11/h3-5,12-13H,2,6H2,1H3

InChI Key

QILIDAIRUWTFHF-UHFFFAOYSA-N

Boiling Point

388°C at 760 mmHg

Melting Point

56-60°C(lit.)

Purity

98%

Density

1.47g/cm3

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

258.00629 g/mol

Monoisotopic Mass

258.00629 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

168

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-PROPOXYPHENYLBORONIC ACID

Product Information

Computed Properties

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