3-Bromo-5-fluoro-2-propoxyphenylboronic acid

Inquiry

Molecular Formula:

C9H11BBrFO3

Molecular Weight:

276.90

CAS Number:

868272-84-8

Catalog Number:

868272-84-8

Product Information

Molecular Formula:

C9H11BBrFO3

Molecular Weight:

276.90

Description

3-Bromo-5-fluoro-2-propoxyphenylboronic acid is a vital compound used in the biomedicine industry. It exhibits potential in drug discovery and development, specifically in the treatment of various diseases. This product serves as a key component for synthesizing novel pharmaceuticals targeting specific diseases, contributing to the advancement of biomedical research and improving patient outcomes.

IUPAC Name

(3-bromo-5-fluoro-2-propoxyphenyl)boronic acid

Canonical SMILES

B(C1=CC(=CC(=C1OCCC)Br)F)(O)O

InChI

InChI=1S/C9H11BBrFO3/c1-2-3-15-9-7(10(13)14)4-6(12)5-8(9)11/h4-5,13-14H,2-3H2,1H3

InChI Key

XOBLNJQYFCQQTQ-UHFFFAOYSA-N

Melting Point

51-56 °C (lit.)

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-5-fluoro-2-propoxyphenylboronic acid

Product Information

Computed Properties

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