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{2,6-difluoro-3-[(2-fluorophenyl)methoxy]phenyl}boronic acid

{2,6-difluoro-3-[(2-fluorophenyl)methoxy]phenyl}boronic acid

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Molecular Formula:

C13H10BF3O3

Molecular Weight:

282.023

CAS Number:

836615-83-9

Catalog Number:

836615-83-9

Product Information

Molecular Formula:

C13H10BF3O3

Molecular Weight:

282.023

Description

{2,6-difluro-3-[(2-fluorophenyl)methoxy]phenyl}boronic acid is an organic compound that embodies a critical role in the formulation of disease managing drugs - predominantly concerning pathological disorders that impinge upon the metabolism and immune system.

Synonyms

(2,6-Difluoro-3-((2-fluorobenzyl)oxy)phenyl)boronic acid; 2,6-Difluoro-3-(2'-fluorobenzyloxy)phenylboronic acid; [2,6-difluoro-3-[(2-fluorophenyl)methoxy]phenyl]boronic acid; 2,6-Difluoro-3-(2'-fluorobenzyloxy)phen&; {2,6-Difluoro-3-[(2-fluorophenyl)methoxy]phenyl}boronic acid; (2,6-Difluoro-3-((2-fluorobenzyl)oxy)phenyl)boronicacid;

IUPAC Name

[2,6-difluoro-3-[(2-fluorophenyl)methoxy]phenyl]boronic acid

Canonical SMILES

B(C1=C(C=CC(=C1F)OCC2=CC=CC=C2F)F)(O)O

InChI

InChI=1S/C13H10BF3O3/c15-9-4-2-1-3-8(9)7-20-11-6-5-10(16)12(13(11)17)14(18)19/h1-6,18-19H,7H2

InChI Key

FZRDUMLPMRLTOK-UHFFFAOYSA-N

Melting Point

120-124 °C

Safety Information

Hazards

H315-H319-H335

Precautionary Statement

P261-P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

282.0675088 g/mol

Monoisotopic Mass

282.0675088 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

309

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

Patents

Publication Number	Title	Priority Date
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	2010-04-16
US-2012149693-A1	Therapeutic compounds	2009-05-05
US-2015315127-A1	Therapeutic compounds	2009-05-05
US-9024071-B2	Therapeutic compounds	2009-05-05

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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