2-cyano-6-methoxyphenyl boronic acid neopentyl glycol ester

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Product Information

Molecular Formula:
C13H16BNO3
Molecular Weight:
245.08
Description
2-cyano-6-methoxyphenyl boronic acid neopentyl glycol ester is an advanced catalyst that can be customized for drug production and is widely used in drug development for cancer-causing diseases such as breast cancer and leukemia.
Synonyms
2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-3-methoxybenzonitrile; 2-Cyano-6-methoxyphenylboronic acid neopentyl glycol ester; 2-CYANO-6-METHOXYPHENYL BORONIC ACID NEOPENTYL GLYCOL ESTER; 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-methoxy-benzonitrile; 2-(5,5-Dimethyldihydro-4H-1,3,2-dioxaborin-2-yl)-3-methoxybenzonitrile; 2-cyano-6-methoxyphenyl boronic acid neopentyl glycol ester
IUPAC Name
2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-methoxybenzonitrile
Canonical SMILES
B1(OCC(CO1)(C)C)C2=C(C=CC=C2OC)C#N
InChI
InChI=1S/C13H16BNO3/c1-13(2)8-17-14(18-9-13)12-10(7-15)5-4-6-11(12)16-3/h4-6H,8-9H2,1-3H3
InChI Key
KQEYALGDGSYUCE-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H302 - H319
Precautionary Statement
P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
245.1223235 g/mol
Monoisotopic Mass
245.1223235 g/mol
Topological Polar Surface Area
51.5Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
328
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
The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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