Benzofurazan-5-boronic acid pinacol ester

Product Information

Molecular Formula:
C12H15BN2O3
Molecular Weight:
246.07
Description
Benzofurazan-5-boronic acid pinacol ester is a pivotal constituent wielded in the field of biomedicine and offers immense scope in pharmaceutical advancements. This multifaceted compound facilitates the creation of paradigm-shifting boron-infused remedies, catering to a spectrum of maladies encompassing malignancies, inflammatory afflictions, and neural degenerative ailments.
Synonyms
Benzofurazan-5-boronic acid pinacol ester; Benzo[c][1,2,5]oxadiazole-5-boronic acid pinacol ester; 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzofurazan
IUPAC Name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzoxadiazole
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=NON=C3C=C2
InChI
InChI=1S/C12H15BN2O3/c1-11(2)12(3,4)17-13(16-11)8-5-6-9-10(7-8)15-18-14-9/h5-7H,1-4H3
InChI Key
MQXANAGMQAYTMV-UHFFFAOYSA-N
Melting Point
87-91 °C
Flash Point
Not applicable
Purity
95%

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
246.1175725 g/mol
Monoisotopic Mass
246.1175725 g/mol
Topological Polar Surface Area
57.4Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
321
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
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2021058595-A1 Herbicidal compounds 2019-09-24
US-2020223827-A1 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same 2018-12-14
US-2020223844-A1 Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same 2018-12-14
BR-112021010341-A2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same 2018-12-14
CA-3120240-A1 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same 2018-12-14
CA-3120667-A1 Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same 2018-12-14
KR-20200073499-A Novel 3,3-difluoroallylamine derivatives or its salt and pharmaceutical compositions comprising the same 2018-12-14
KR-20200073503-A Triazolopyridine-3-one derivatives or its salt and pharmaceutical compositions comprising the same 2018-12-14
KR-20210092312-A 3,3-difluoroallylamine or salts thereof and pharmaceutical compositions comprising the same 2018-12-14
KR-20210092314-A Triazolopyridin-3-one or salts thereof and pharmaceutical compositions comprising the same 2018-12-14
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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