4-Amino-3-fluorophenylboronic acid hydrochloride

Product Information

Molecular Formula:
C6H7BFNO2.HCl
Molecular Weight:
191.40
Description
4-Amino-3-fluorophenylboronic acid hydrochloride is a versatile compound that stands as a harbinger of hope in combatting intricate malignancies and autoimmune ailments. Its formidable prowess lies in its profound ability to restrain pivotal enzymes implicated in the trajectory of diseases. By astutely discerning and facilely attaching to disease-associated targets, this compound unfurls a potential therapeutic panorama.
Synonyms
Boronic acid, B-(4-amino-3-fluorophenyl)-, hydrochloride (1:1); Boronic acid, B-(4-amino-3-fluorophenyl)-, monohydrochloride
IUPAC Name
(4-amino-3-fluorophenyl)boronic acid;hydrochloride
Canonical SMILES
B(C1=CC(=C(C=C1)N)F)(O)O.Cl
InChI
InChI=1S/C6H7BFNO2.ClH/c8-5-3-4(7(10)11)1-2-6(5)9;/h1-3,10-11H,9H2;1H
InChI Key
NXCNVCKJELIVDM-UHFFFAOYSA-N
Melting Point
150-160°C
Flash Point
Not applicable
Purity
98%
Appearance
Solid Powder
Storage
Store at 2-8°C

Safety Information

Hazards
H302

Computed Properties

Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
191.0320645 g/mol
Monoisotopic Mass
191.0320645 g/mol
Topological Polar Surface Area
66.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
136
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

Patents

Publication Number Title Priority Date
US-10088476-B2 Volume response sensors having analyte controlled reversible crosslinking 2013-10-07
US-2016252505-A1 Volume response sensors having analyte controlled reversible crosslinking 2013-10-07
WO-2015053975-A1 Volume response sensors having controlled reversible crosslinking 2013-10-07
EP-2876109-A1 Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same 2012-07-23
KR-20140018795-A Furan-containing fused ring compound or salt thereof and pharmaceutical composition comprising same 2012-07-23
US-2015191478-A1 Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same 2012-07-23
US-9493478-B2 Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same 2012-07-23
US-2011306587-A1 Unsaturated nitrogen heterocyclic compounds useful as pde10 inhibitors 2010-05-13
US-2014213572-A1 Unsaturated nitrogen heterocyclic compounds useful as pde10 inhibitors 2010-05-13
US-2016102075-A1 Unsaturated nitrogen heterocyclic compounds useful as pde10 inhibitors 2010-05-13
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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