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

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Product Information

Molecular Formula
C7H10BClFNO2
Molecular Weight
205.42
Description
Fluorinated aminomethylphenylboronic acid salt, available for purchase for protease inhibitor and boronate ester formation studies. Commonly used in medicinal and synthetic chemistry.
Synonyms
2-(AMINOMETHYL)-5-FLUOROBENZENEBORONIC ACID, HCL; 2-AMINOMETHYL-5-FLUOROPHENYLBORONIC ACID, HCL; (2-AMINOMETHYL-5-FLUORO)PHENYLBORONIC ACID HYDROCHLORIDE; 2-(Aminomethyl)-5-fluorobenzeneboronic acid hydrochloride; 2-Borono-4-fluorobenzylamine, HCl
IUPAC Name
[2-(aminomethyl)-5-fluorophenyl]boronic acid;hydrochloride
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,4,10H2;1H
InChI Key
URBGTEWFXWJWPS-UHFFFAOYSA-N
Boiling Point
359.4°C at 760 mmHg
Melting Point
152-158°C
Flash Point
Not applicable
Purity
95%

Computed Properties

Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
205.0477146 g/mol
Monoisotopic Mass
205.0477146 g/mol
Topological Polar Surface Area
66.5Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
147
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
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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