2-(e-cyanovinyl)benzeneboronic acid

Inquiry

Molecular Formula:

C9H8BNO2

Molecular Weight:

172.98

Product Information

Molecular Formula:

C9H8BNO2

Molecular Weight:

172.98

Description

2-(E-cyanovinyl)benzeneboronic Acid is a boronic acid derivative used in biomedical research for the synthesis of pharmaceutical compounds. It's used in drug discovery studies targeting a variety of diseases due to its flexible chemical structure.

Synonyms

[2-[(E)-2-cyanoethenyl]phenyl]boronic acid; (E)-(2-(2-Cyanovinyl)phenyl)boronic acid; 3-(2-BORONOPHENYL)ACRYLONITRILE; (E)-(2-(2-Cyanovinyl)phenyl)boronicacid; 2-(E-CYANOVINYL)BENZENEBORONIC ACID; 2-(e-cyanovinyl)benzeneboronic acid

IUPAC Name

[2-[(E)-2-cyanoethenyl]phenyl]boronic acid

Canonical SMILES

B(C1=CC=CC=C1C=CC#N)(O)O

InChI

InChI=1S/C9H8BNO2/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-6,12-13H/b5-3+

InChI Key

IBOPZLYQFBLSRH-HWKANZROSA-N

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

173.0648087 g/mol

Monoisotopic Mass

173.0648087 g/mol

Topological Polar Surface Area

64.2Å²

Heavy Atom Count

Formal Charge

Complexity

231

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-(e-cyanovinyl)benzeneboronic acid

Product Information

Computed Properties

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