3-Nitrophenylboronic acid MIDA ester

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Product Information

Molecular Formula
C11H11BN2O6
Molecular Weight
278.03
Description
Suzuki Cross-Coupling with MIDA Boronates
Synonyms
6-Methyl-2-(3-nitrophenyl)-1,3,6,2-dioxazaborocane-4,8-dione
IUPAC Name
6-methyl-2-(3-nitrophenyl)-1,3,6,2-dioxazaborocane-4,8-dione
SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H11BN2O6/c1-13-6-10(15)19-12(20-11(16)7-13)8-3-2-4-9(5-8)14(17)18/h2-5H,6-7H2,1H3
InChI Key
COEHPTUYNRXODY-UHFFFAOYSA-N
Melting Point
211-215 °C
Flash Point
Not applicable
Purity
97%

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
1
Exact Mass
278.0710162 g/mol
Monoisotopic Mass
278.0710162 g/mol
Topological Polar Surface Area
102Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
392
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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