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2-Acetamido-4-(trifluoromethoxy)phenylboronic acid, pinacol ester

2-Acetamido-4-(trifluoromethoxy)phenylboronic acid, pinacol ester

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Molecular Formula:

C15H19BF3NO4

Molecular Weight:

345.12

Product Information

Molecular Formula:

C15H19BF3NO4

Molecular Weight:

345.12

Description

2-Acetamido-4-(trifluoromethoxy)phenylboronic acid, pinacol ester It is a widely used small drug molecule, mainly used in the field of drug discovery and pharmacodynamics research. It contributes to the production of B-RAF inhibitors designed to combat melanoma.

Synonyms

2-Acetamido-4-(trifluoromethoxy)phenylboronic acid, pinacol ester; N-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)phenyl)acetamide; N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)phenyl]acetamide; 2-Acetamido-4-(trifluoromethoxy)phenylboronic acid pinacol ester; 2-Acetamido-4-(trifluoromethoxy)phenylboronic acid,pinacol ester; 2-Acetamido-4-(trifluoromethoxy)phenylboronic acid, pinacol ester

IUPAC Name

N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)phenyl]acetamide

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)OC(F)(F)F)NC(=O)C

InChI

InChI=1S/C15H19BF3NO4/c1-9(21)20-12-8-10(22-15(17,18)19)6-7-11(12)16-23-13(2,3)14(4,5)24-16/h6-8H,1-5H3,(H,20,21)

InChI Key

OLWPFRXCCCYAMH-UHFFFAOYSA-N

Flash Point

Not applicable

Safety Information

Hazards

H302 - H317

Precautionary Statement

P280

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

345.1359227 g/mol

Monoisotopic Mass

345.1359227 g/mol

Topological Polar Surface Area

56.8Å²

Heavy Atom Count

Formal Charge

Complexity

468

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

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

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2-Acetamido-4-(trifluoromethoxy)phenylboronic acid, pinacol ester

Product Information

Safety Information

Computed Properties

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