2,4,6-trifluorophenylboronic acid MIDA ester

Inquiry

Molecular Formula:

C11H9BF3NO4

Molecular Weight:

287.00

Product Information

Molecular Formula:

C11H9BF3NO4

Molecular Weight:

287.00

Description

2,4,6-Trifluorophenylboronic acid MIDA ester, a pharmaceutically pertinent compound possessing distinct applications within the biomedical sphere, primarily aids the synthesis of potent chemotherapeutic agents. It can effectively promote the development of anti-tumor drugs.

IUPAC Name

6-methyl-2-(2,4,6-trifluorophenyl)-1,3,6,2-dioxazaborocane-4,8-dione

Canonical SMILES

B1(OC(=O)CN(CC(=O)O1)C)C2=C(C=C(C=C2F)F)F

InChI

InChI=1S/C11H9BF3NO4/c1-16-4-9(17)19-12(20-10(18)5-16)11-7(14)2-6(13)3-8(11)15/h2-3H,4-5H2,1H3

InChI Key

AUDCPLKVSBTGLL-UHFFFAOYSA-N

Melting Point

269 °C

Flash Point

Not applicable

Purity

97%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

287.0576724 g/mol

Monoisotopic Mass

287.0576724 g/mol

Topological Polar Surface Area

55.8Å²

Heavy Atom Count

Formal Charge

Complexity

368

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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2,4,6-trifluorophenylboronic acid MIDA ester

Product Information

Computed Properties

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