3-CHLORO-4-(2'-FLUOROBENZYLOXY)PHENYLBO&

Inquiry

Molecular Formula:

C13H11BClFO3

Molecular Weight:

280.489

CAS Number:

870777-28-9

Catalog Number:

870777-28-9

Product Information

Molecular Formula:

C13H11BClFO3

Molecular Weight:

280.489

Description

3-CHLORO-4-(2'-FLUOROBENZYLOXY)PHENYLBORONIC ACID emerges as a highly intricate and multifaceted boronic acid derivative.

Synonyms

3-CHLORO-4-(2'-FLUOROBENZYLOXY)PHENYLBO&

IUPAC Name

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

Canonical SMILES

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

InChI

InChI=1S/C13H11BClFO3/c15-11-7-10(14(17)18)5-6-13(11)19-8-9-3-1-2-4-12(9)16/h1-7,17-18H,8H2

InChI Key

YDPXKZJRODTNBZ-UHFFFAOYSA-N

Boiling Point

449.8°C at 760 mmHg

Melting Point

167-172°C(lit.)

Purity

95%

Density

1.36g/cm3

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

280.0473802 g/mol

Monoisotopic Mass

280.0473802 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-CHLORO-4-(2'-FLUOROBENZYLOXY)PHENYLBO&

Product Information

Computed Properties

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