3-Bromo-2-(2-fluorobenzyloxy)phenylboronic acid

Inquiry

Molecular Formula:

C13H11BBrFO3

Molecular Weight:

324.94

CAS Number:

870778-86-2

Catalog Number:

870778-86-2

Product Information

Molecular Formula:

C13H11BBrFO3

Molecular Weight:

324.94

Description

3-Bromo-2-(2-fluorobenzyloxy)phenylboronic acid is a highly coveted compound within the biomedical realm and finds extensive application in drug discovery and development. Ubiquitously employed to craft pharmaceutical agents efficaciously combating a multitude of ailments, this entity specifically imparts its prowess in synthesizing and researching targeted therapeutics that modulate discrete enzymatic activities and receptor interactions. Such distinctive molecular attributes render it indispensable in formulating therapeutic interventions of paramount efficacy.

Synonyms

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

IUPAC Name

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

Canonical SMILES

B(C1=C(C(=CC=C1)Br)OCC2=CC=CC=C2F)(O)O

InChI

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

InChI Key

XTBIXNSHJQLMFR-UHFFFAOYSA-N

Melting Point

116-120 °C (lit.)

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

283

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-(2-fluorobenzyloxy)phenylboronic acid

Product Information

Computed Properties

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