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(2-Aminomethyl-5-fluoro)phenylboronic acid hydrochloride

(2-Aminomethyl-5-fluoro)phenylboronic acid hydrochloride

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Molecular Formula:

C7H10BClFNO2

Molecular Weight:

205.42

Product Information

Molecular Formula:

C7H10BClFNO2

Molecular Weight:

205.42

Description

(2-Aminomethyl-5-fluoro)phenyl borate hydrochloride is a biochemical monolith commonly used as a molecular building block in pharmacological assemblies. Its key role is reflected in the construction of innovative drug molecules.

Synonyms

2-Aminomethyl-5-fluorophenylboronic acid, HCl; [2-(aminomethyl)-5-fluorophenyl]boronic acid; hydrochloride; (2-AMINOMETHYL-5-FLUORO)PHENYLBORONIC ACID HYDROCHLORIDE; 2-Aminomethyl-5-fluorophenylboronic acid hydrochloride; [2-(aminomethyl)-5-fluorophenyl]boronic acid hydrochloride; (2-(Aminomethyl)-5-fluorophenyl)-boronic acid hydrochloride; 2-BORONO-4-FLUOROBENZYLAMINE HYDROCHLORIDE; SCHEMBL3761659; (2-(Aminomethyl)-5-fluorophenyl)boronicacidhydrochloride; [2-(aminomethyl)-5-fluoranyl-phenyl]boronic acid hydrochloride; (2-Aminomethyl-5-fluoro)phenylboronic acid hydrochloride; [2-(Aminomethyl)-5-fluorophenyl]boronic acid--hydrogen chloride (1/1)

IUPAC Name

[2-(aminomethyl)-5-fluorophenyl]boronic acidhydrochloride

Canonical SMILES

B(C1=C(C=CC(=C1)F)CN)(O)O.Cl

InChI

InChI=1S/C7H9BFNO2.ClH/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-3,11-12H,4,10H21H

InChI Key

URBGTEWFXWJWPS-UHFFFAOYSA-N

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

205.0477146 g/mol

Monoisotopic Mass

205.0477146 g/mol

Topological Polar Surface Area

66.5Å²

Heavy Atom Count

Formal Charge

Complexity

147

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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Concentration _(final)

Volume _(final)

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(2-Aminomethyl-5-fluoro)phenylboronic acid hydrochloride

Product Information

Computed Properties

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