2-(3-Cyanophenyl)-5,5μ-dimethyl-1,3,2-dioxaborinane

Product Information

Molecular Formula:
C12H14O2BN
Molecular Weight:
215.1
Description
2-(3-Cyanophenyl)-5,5μ-dimethyl-1,3,2-dioxaborinane is an advanced pharmaceutical compound that demonstrates unparalleled potential in addressing a plethora of ailments, notably cancer, through the selective suppression of distinct molecular entities.
Synonyms
3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile; 214360-45-9; 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile; (3-Cyanophenyl)boronicacid,neopentylglycolester; 651168_ALDRICH; SCHEMBL5265998
IUPAC Name
3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
Canonical SMILES
B1(OCC(CO1)(C)C)C2=CC(=CC=C2)C#N
InChI
InChI=1S/C12H14BNO2/c1-12(2)8-15-13(16-9-12)11-5-3-4-10(6-11)7-14/h3-6H,8-9H2,1-2H3
InChI Key
RTYUBKQTFNAFQC-UHFFFAOYSA-N
Boiling Point
350.2°C at 760 mmHg
Melting Point
85-87°C
Purity
95%
Density
1.08g/cm3

Safety Information

Hazards
H315-H319-H335
Precautionary Statement
P261-P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
215.1117589 g/mol
Monoisotopic Mass
215.1117589 g/mol
Topological Polar Surface Area
42.2Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
287
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
US-2019327974-A1 Synergists for improved pesticides 2017-01-09
WO-2018127928-A1 Synergists for improved pesticides 2017-01-09
AU-2014255326-A1 Antibacterial biaromatic derivatives 2013-04-16
AU-2014255326-B2 Antibacterial biaromatic derivatives 2013-04-16
CA-2907832-A1 Antibacterial biaromatic derivatives 2013-04-16
EA-029361-B1 ANTIBACTERIAL BIAROMATIC DERIVATIVES 2013-04-16
EP-2986607-A1 Antibacterial biaromatic derivatives 2013-04-16
EP-2986607-B1 Antibacterial biaromatic derivatives 2013-04-16
ES-2640482-T3 Antibacterial biaromatic derivatives 2013-04-16
JP-2016516805-A Diaromatic derivatives having antibacterial activity 2013-04-16
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

Related Products

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