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4-(trifluoromethyl)pyridine-3-boronic acid hydrate

4-(trifluoromethyl)pyridine-3-boronic acid hydrate

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Molecular Formula:

C6H7BF3NO3

Molecular Weight:

208.93

Product Information

Molecular Formula:

C6H7BF3NO3

Molecular Weight:

208.93

Description

4-(trifluoromethyl)pyridine-3-boronic acid hydrate is an essential compound in the biomedical industry. This product is utilized as a versatile building block in the synthesis of pharmaceutical drugs targeting various diseases.

Synonyms

(4-(Trifluoromethyl)pyridin-3-yl)boronic acid hydrate; (4-(Trifluoromethyl)pyridin-3-yl)boronicacidhydrate; [4-(trifluoromethyl)pyridin-3-yl]boronic acid; hydrate; [4-(Trifluoromethyl)pyridin-3-yl]boronic acid--water (1/1); 4-(trifluoromethyl)pyridine-3-boronic acid hydrate

IUPAC Name

[4-(trifluoromethyl)pyridin-3-yl]boronic acidhydrate

Canonical SMILES

B(C1=C(C=CN=C1)C(F)(F)F)(O)O.O

InChI

InChI=1S/C6H5BF3NO2.H2O/c8-6(9,10)4-1-2-11-3-5(4)7(12)13/h1-3,12-13H1H2

InChI Key

CKGIYHYJVBVRFH-UHFFFAOYSA-N

Flash Point

Not applicable

Safety Information

Hazards

H319

Precautionary Statement

P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

209.0471077 g/mol

Monoisotopic Mass

209.0471077 g/mol

Topological Polar Surface Area

54.4Å²

Heavy Atom Count

Formal Charge

Complexity

176

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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4-(trifluoromethyl)pyridine-3-boronic acid hydrate

Product Information

Safety Information

Computed Properties

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