Cyclohexylboronic acid MIDA ester

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Product Information

Molecular Formula
C11H18BNO4
Molecular Weight
239.08
Description
Representative Applications of MIDA boronates
Synonyms
2-cyclohexyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione; CyclohexylboronicacidMIDAester; ZINC170162879; HE295219; 1104637-39-9
IUPAC Name
2-cyclohexyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2CCCCC2
InChI
InChI=1S/C11H18BNO4/c1-13-7-10(14)16-12(17-11(15)8-13)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChI Key
SLUNFPHQHGXTCG-UHFFFAOYSA-N
Melting Point
210-215 °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
239.1328882 g/mol
Monoisotopic Mass
239.1328882 g/mol
Topological Polar Surface Area
55.8Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
284
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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