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

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

Inquiry

Molecular Formula:

C12H14O2BN

Molecular Weight:

215.1

CAS Number:

214360-45-9

Catalog Number:

214360-45-9

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

215.1117589 g/mol

Monoisotopic Mass

215.1117589 g/mol

Topological Polar Surface Area

42.2Å²

Heavy Atom Count

Formal Charge

Complexity

287

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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)

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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