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2,3-Dimethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine

2,3-Dimethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine

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Molecular Formula:

C14H19BF3NO4

Molecular Weight:

333.11

Product Information

Molecular Formula:

C14H19BF3NO4

Molecular Weight:

333.11

Description

2,3-Dimethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine is a specialized compound used in biomedical research. Mainly, it serves as a reagent in the creation of pharmaceutical drugs aiming to treat neurological disorders.

Synonyms

2,3-Dimethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine

IUPAC Name

2,3-dimethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C(C(=NC=C2C(F)(F)F)OC)OC

InChI

InChI=1S/C14H19BF3NO4/c1-12(2)13(3,4)23-15(22-12)9-8(14(16,17)18)7-19-11(21-6)10(9)20-5/h7H,1-6H3

InChI Key

HMUKCBZNHGKNND-UHFFFAOYSA-N

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

333.1359227 g/mol

Monoisotopic Mass

333.1359227 g/mol

Topological Polar Surface Area

49.8Å²

Heavy Atom Count

Formal Charge

Complexity

417

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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2,3-Dimethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine

Product Information

Computed Properties

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