1-(4-boronophenyl)cyclopropanecarbonitrile

Inquiry

Molecular Formula:

C10H10BNO2

Molecular Weight:

187.00

Product Information

Molecular Formula:

C10H10BNO2

Molecular Weight:

187.00

Description

1-(4-boronophenyl)cyclopropanecarbonitrile is a chemical compound predominantly utilized in biomedical research. This product is commonly employed in synthesizing pharmaceutical drugs, with particular emphasis in anti-cancer therapies due to its boron content, essential for Boron Neutron Capture Therapy (BNCT).

Synonyms

(4-(1-Cyanocyclopropyl)phenyl)boronic acid; 4-(1-CYANOCYCLOPROPYL)PHENYLBORONIC ACID; [4-(1-cyanocyclopropyl)phenyl]boronic acid; 1-(4-Boronophenyl)cyclopropanecarbonitrile; Boronic acid, B-[4-(1-cyanocyclopropyl)phenyl]-; 1-(4-boronophenyl)cyclopropanecarbonitrile

IUPAC Name

[4-(1-cyanocyclopropyl)phenyl]boronic acid

Canonical SMILES

B(C1=CC=C(C=C1)C2(CC2)C#N)(O)O

InChI

InChI=1S/C10H10BNO2/c12-7-10(5-6-10)8-1-3-9(4-2-8)11(13)14/h1-4,13-14H,5-6H2

InChI Key

NOICYZKSQYFZPX-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

187.0804587 g/mol

Monoisotopic Mass

187.0804587 g/mol

Topological Polar Surface Area

64.2Å²

Heavy Atom Count

Formal Charge

Complexity

259

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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1-(4-boronophenyl)cyclopropanecarbonitrile

Product Information

Safety Information

Computed Properties

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