3-BROMO-6-FLUORO-3-PROPOXYPHENYLBORONIC&

Inquiry

Molecular Formula:

C9H11BBrFO3

Molecular Weight:

276.896

CAS Number:

849052-20-6

Catalog Number:

849052-20-6

Product Information

Molecular Formula:

C9H11BBrFO3

Molecular Weight:

276.896

Description

3-BROMO-6-FLUORO-3-PROPOXYPHENYLBORONIC is known as a potent boronic acid derivative. Its broad application lies in the synthesis of highly specialized and targeted anticancer drugs designed to selectively fight and stop the growth of malignant cells. This compound is at the heart of several treatment strategies and plays a crucial role in the fight against a variety of cancers, such as those affecting breast, lung and prostate cancers.

Synonyms

3-BROMO-6-FLUORO-3-PROPOXYPHENYLBORONIC&

IUPAC Name

(2-bromo-6-fluoro-3-propoxyphenyl)boronic acid

Canonical SMILES

B(C1=C(C=CC(=C1Br)OCCC)F)(O)O

InChI

InChI=1S/C9H11BBrFO3/c1-2-5-15-7-4-3-6(12)8(9(7)11)10(13)14/h3-4,13-14H,2,5H2,1H3

InChI Key

AIRJDYNENADRSB-UHFFFAOYSA-N

Melting Point

83-88 °C (lit.)

Purity

98%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

275.99687 g/mol

Monoisotopic Mass

275.99687 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

196

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-6-FLUORO-3-PROPOXYPHENYLBORONIC&

Product Information

Computed Properties

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