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
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
Related CAS
494752-42-0 (free base)
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 |
