4-Iodophenylboronic acid MIDA ester

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Product Information

Molecular Formula
C11H11BINO4
Molecular Weight
358.92
Description
Suzuki Cross-Coupling with MIDA Boronates
Purity excludes solvent of crystallization. May contain up to 10 wt. % DMSO
Synonyms
2-(4-Iodophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
IUPAC Name
2-(4-iodophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2=CC=C(C=C2)I
InChI
InChI=1S/C11H11BINO4/c1-14-6-10(15)17-12(18-11(16)7-14)8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3
InChI Key
KIKNJEGAWBNFLW-UHFFFAOYSA-N
Melting Point
213-217 °C
Flash Point
Not applicable
Purity
97%

Safety Information

Hazards
H302

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
358.98259 g/mol
Monoisotopic Mass
358.98259 g/mol
Topological Polar Surface Area
55.8Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
313
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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