3-BROMO-2-(4'-FLUOROBENZYLOXY)PHENYLBOR&

Inquiry

Molecular Formula:

C13H11BBrFO3

Molecular Weight:

324.94

CAS Number:

849052-22-8

Catalog Number:

849052-22-8

Product Information

Molecular Formula:

C13H11BBrFO3

Molecular Weight:

324.94

Description

3-BROMO-2-(4'-FLUOROBENZYLOXY)PHENYLBORANE, a highly versatile compound, plays a critical role in the realm of biomedicine. This paramount reagent not only facilitates the synthesis of pharmaceutical compounds but also enables their modification. Its wide-ranging applications extend to combatting diverse ailments such as cancer, inflammation, and infectious diseases.

Synonyms

3-Bromo-2-(4'-fluorobenzyloxy)phenylboronic acid; (3-Bromo-2-((4-fluorobenzyl)oxy)phenyl)boronic acid; [3-bromo-2-[(4-fluorophenyl)methoxy]phenyl]boronic acid; 3-BROMO-2-(4'-FLUOROBENZYLOXY)PHENYLBOR&; {3-Bromo-2-[(4-fluorophenyl)methoxy]phenyl}boronic acid; (3-Bromo-2-((4-fluorobenzyl)oxy)phenyl)boronicacid

IUPAC Name

[3-bromo-2-[(4-fluorophenyl)methoxy]phenyl]boronic acid

Canonical SMILES

B(C1=C(C(=CC=C1)Br)OCC2=CC=C(C=C2)F)(O)O

InChI

InChI=1S/C13H11BBrFO3/c15-12-3-1-2-11(14(17)18)13(12)19-8-9-4-6-10(16)7-5-9/h1-7,17-18H,8H2

InChI Key

FAGFWOJETYFVAS-UHFFFAOYSA-N

Melting Point

105-110 °C (lit.)

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

323.99687 g/mol

Monoisotopic Mass

323.99687 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

275

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-(4'-FLUOROBENZYLOXY)PHENYLBOR&

Product Information

Computed Properties

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