1H-Benzo[d]imidazole-5-boronic Acid Pinacol Ester

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Product Information

Molecular Formula
C13H17N2O2B
Molecular Weight
244.10
Description
1H-Benzo[d]imidazole-5-boronic Acid Pinacol Ester (CAS# 1007206-54-3) is a useful research chemical.
Synonyms
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole; 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole
IUPAC Name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=CN3
InChI
InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)9-5-6-10-11(7-9)16-8-15-10/h5-8H,1-4H3,(H,15,16)
InChI Key
HCWNKNYTHLBIHX-UHFFFAOYSA-N
Boiling Point
495.2±51.0 °C at 760 mmHg
Melting Point
202-206 °C
Flash Point
Not applicable
Purity
97 %
Density
1.2±0.1 g/cm3
Appearance
Solid
Storage
Inert atmosphere, Store in freezer, under -20 °C
LogP
1.86210

Computed Properties

Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
244.1383080 g/mol
Monoisotopic Mass
244.1383080 g/mol
Topological Polar Surface Area
47.1Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
319
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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