4-Cyano-3-isopropoxyphenylboronic acid

Inquiry

Molecular Formula:

C10H12BNO3

Molecular Weight:

205.02

Product Information

Molecular Formula:

C10H12BNO3

Molecular Weight:

205.02

Description

4-Cyano-3-isopropoxyphenylboronic acid can serve as a catalyst in the creation of formidable inhibitors, selectively aimed at combating a plethora of cancer-associated enzymes.

Synonyms

(4-cyano-3-propan-2-yloxyphenyl)boronic acid; (4-Cyano-3-isopropoxyphenyl)boronicacid; (4-Cyano-3-isopropoxyphenyl)boronic acid; 4-Cyano-3-isopropoxyphenylboronic acid; Boronic acid, B-[4-cyano-3-(1-methylethoxy)phenyl]-

IUPAC Name

(4-cyano-3-propan-2-yloxyphenyl)boronic acid

Canonical SMILES

B(C1=CC(=C(C=C1)C#N)OC(C)C)(O)O

InChI

InChI=1S/C10H12BNO3/c1-7(2)15-10-5-9(11(13)14)4-3-8(10)6-12/h3-5,7,13-14H,1-2H3

InChI Key

XRTVNVUITJLVSU-UHFFFAOYSA-N

Flash Point

Not applicable

Safety Information

Hazards

H302

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

205.0910234 g/mol

Monoisotopic Mass

205.0910234 g/mol

Topological Polar Surface Area

73.5Å²

Heavy Atom Count

Formal Charge

Complexity

248

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-Cyano-3-isopropoxyphenylboronic acid

Product Information

Safety Information

Computed Properties

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