2-Chloro-6-fluorophenylboronic Acid

Inquiry

Molecular Formula:

C6H5ClFO2B

Molecular Weight:

174.37

CAS Number:

313545-32-3

Catalog Number:

313545-32-3

Product Information

Molecular Formula:

C6H5ClFO2B

Molecular Weight:

174.37

Description

Reactant for: Suzuki coupling; Preparation of cellular checkpoint kinase Wee1 binding affectors.

Synonyms

(2-chloro-6-fluorophenyl)boronic acid; (2-chloro-6-fluorophenyl)boronic acid

IUPAC Name

(2-chloro-6-fluorophenyl)boronic acid

Canonical SMILES

B(C1=C(C=CC=C1Cl)F)(O)O

InChI

InChI=1S/C6H5BClFO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H

InChI Key

NXSZSZJWZVLHAY-UHFFFAOYSA-N

Boiling Point

299.8 °C at 760 mmHg

Melting Point

131-135 °C (lit.)

Density

1.41 g/cm³

LogP

0.15890

Safety Information

Precautionary Statement

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

174.0055154 g/mol

Monoisotopic Mass

174.0055154 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

136

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-2022032484-A1	Pyridazine-3-formamide compound, and preparation method therefor and medical use thereof	2020-08-11
KR-20220017359-A	Novel compound and organic light emitting device comprising the same	2020-08-04
KR-20220017369-A	Novel compound and organic light emitting device comprising the same	2020-08-04
WO-2022031020-A1	Novel compound and organic light emitting device comprising same	2020-08-04
WO-2022031028-A1	Novel compound and organic light emitting device using same	2020-08-04
WO-2021240424-A1	Indazole and benzoisoxazole dihydroorotate dehydrogenase inhibitors	2020-05-29
WO-2021239058-A1	Fused tricyclic compound, pharmaceutical composition thereof, and use thereof	2020-05-27
CN-113644223-A	Organic electroluminescent device and polycyclic compound for organic electroluminescent device	2020-05-11
EP-3909946-A2	Organic electroluminescence device and polycyclic compound for organic electroluminescence device	2020-05-11
CN-113563357-A	Compound for organic photoelectric device, composition for organic photoelectric device, and display device	2020-04-28

The molarity calculator equation

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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