3-Amino-4-chlorophenylboronic acid

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Molecular Formula:

C6H7BClNO2

Molecular Weight:

171.39

Product Information

Molecular Formula:

C6H7BClNO2

Molecular Weight:

171.39

Description

3-Amino-4-chlorophenylboronic acid, a highly significant and extensively utilized chemical compound within the biomedical realm, emerges as an invaluable key intermediate in the synthetic journey of diverse medicinal drugs. By effectively fostering the creation of pharmaceutical agents, this compound profoundly impacts the combat against cancer, diabetes, and an array of ailments.

Synonyms

3-AMINO-4-CHLOROPHENYLBORONIC ACID; (3-amino-4-chlorophenyl)boronic acid; Boronic acid, (3-amino-4-chlorophenyl)-; (3-amino-4-chlorophenyl)boronicacid; 3-Amino-4-chlorophenylboronic acid

IUPAC Name

(3-amino-4-chlorophenyl)boronic acid

Canonical SMILES

B(C1=CC(=C(C=C1)Cl)N)(O)O

InChI

InChI=1S/C6H7BClNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H,9H2

InChI Key

CSGAGFPHVVBHDF-UHFFFAOYSA-N

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

171.0258363 g/mol

Monoisotopic Mass

171.0258363 g/mol

Topological Polar Surface Area

66.5Å²

Heavy Atom Count

Formal Charge

Complexity

136

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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3-Amino-4-chlorophenylboronic acid

Product Information

Computed Properties

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