TRANS-2-(4-BIPHENYL)VINYLBORONIC ACID

Inquiry

Molecular Formula:

C14H13BO2

Molecular Weight:

224.066

CAS Number:

352530-23-5

Catalog Number:

352530-23-5

Product Information

Molecular Formula:

C14H13BO2

Molecular Weight:

224.066

Description

• Carbonic anhydrase inhibitor• Inhibitor of fatty acid amide hydrolase

Synonyms

(2-([1,1'-Biphenyl]-4-yl)vinyl)boronic acid; [(E)-2-(4-phenylphenyl)ethenyl]boronic acid; (E)-(2-([1,1'-Biphenyl]-4-yl)vinyl)boronic acid; 2-(biphenyl-4-yl)vinylboronic acid; Alkenylboronic Acid, 22; 4-Phenylstyrylboronic acid; [(E)-2-(4-phenylphenyl)ethenyl]boranediol; (E)-(2-([1,1'-Biphenyl]-4-yl)vinyl)boronicacid; trans-(2-([1,1'-biphenyl]-4-yl)vinyl)boronic acid

IUPAC Name

[(E)-2-(4-phenylphenyl)ethenyl]boronic acid

Canonical SMILES

B(C=CC1=CC=C(C=C1)C2=CC=CC=C2)(O)O

InChI

InChI=1S/C14H13BO2/c16-15(17)11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-11,16-17H/b11-10+

InChI Key

NTRGFVQIGQYKIL-ZHACJKMWSA-N

Melting Point

134-139 °C (lit.)

Flash Point

Not applicable

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

224.1008598 g/mol

Monoisotopic Mass

224.1008598 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

239

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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TRANS-2-(4-BIPHENYL)VINYLBORONIC ACID

Product Information

Computed Properties

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