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

Inquiry

Molecular Formula:

C13H17N2O2B

Molecular Weight:

244.10

CAS Number:

1007206-54-3

Catalog Number:

1007206-54-3

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

244.1383080 g/mol

Monoisotopic Mass

244.1383080 g/mol

Topological Polar Surface Area

47.1Å²

Heavy Atom Count

Formal Charge

Complexity

319

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

Product Information

Computed Properties

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