6-Chloro-2-fluoro-3-methylphenylboronic Acid

Inquiry

Molecular Formula:

C7H7ClFO2B

Molecular Weight:

188.39

CAS Number:

352535-86-5

Catalog Number:

352535-86-5

Product Information

Molecular Formula:

C7H7ClFO2B

Molecular Weight:

188.39

Description

6-Chloro-2-fluoro-3-methylphenylboronic Acid (CAS# 352535-86-5) is a useful research chemical.

Synonyms

(6-chloro-2-fluoro-3-methylphenyl)boronic acid; (6-chloro-2-fluoro-3-methylphenyl)boronic acid

IUPAC Name

(6-chloro-2-fluoro-3-methylphenyl)boronic acid

Canonical SMILES

B(C1=C(C=CC(=C1F)C)Cl)(O)O

InChI

InChI=1S/C7H7BClFO2/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3,11-12H,1H3

InChI Key

OXBULPFGOYOICC-UHFFFAOYSA-N

Boiling Point

323.3 °C at 760 mmHg

Melting Point

127-132 °C (lit.)

Density

1.35 g/cm³

Appearance

White powder

LogP

0.46730

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

188.0211655 g/mol

Monoisotopic Mass

188.0211655 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

158

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

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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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6-Chloro-2-fluoro-3-methylphenylboronic Acid

Product Information

Computed Properties

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