6-Chloro-3-pyridinylboronic acid MIDA ester

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Product Information

Molecular Formula:
C10H10BClN2O4
Molecular Weight:
268.46
Description
Suzuki Cross-Coupling with MIDA Boronates
Synonyms
2-(6-Chloro-3-pyridinyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione,2-Chloropyridine-5-boronic acid MIDA ester,6-Chloro-3-pyridineboronic acid MIDA ester
IUPAC Name
2-(6-chloropyridin-3-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
Canonical SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2=CN=C(C=C2)Cl
InChI
InChI=1S/C10H10BClN2O4/c1-14-5-9(15)17-11(18-10(16)6-14)7-2-3-8(12)13-4-7/h2-4H,5-6H2,1H3
InChI Key
PVUDAIRKNDZTBL-UHFFFAOYSA-N
Melting Point
222-226 °C
Purity
97%

Safety Information

Hazards
H315-H319-H335
Precautionary Statement
P261-P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
268.0422147 g/mol
Monoisotopic Mass
268.0422147 g/mol
Topological Polar Surface Area
68.7Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
324
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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