2,4-Bis(4-ethynylphenyl)pyridine

Inquiry

Molecular Formula:

C21H13N

Molecular Weight:

279.33

CAS Number:

1285694-84-9

Catalog Number:

1285694-84-9

Product Information

Molecular Formula:

C21H13N

Molecular Weight:

279.33

IUPAC Name

2,4-bis(4-ethynylphenyl)pyridine

Canonical SMILES

C#CC1=CC=C(C=C1)C2=CC(=NC=C2)C3=CC=C(C=C3)C#C

InChI

InChI=1S/C21H13N/c1-3-16-5-9-18(10-6-16)20-13-14-22-21(15-20)19-11-7-17(4-2)8-12-19/h1-2,5-15H

InChI Key

FQFVMZWLIKNDCU-UHFFFAOYSA-N

Purity

97%

Computed Properties

XLogP3

4.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

279.104799419

Monoisotopic Mass

279.104799419

Topological Polar Surface Area

12.9

Heavy Atom Count

Formal Charge

Complexity

445

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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2,4-Bis(4-ethynylphenyl)pyridine

Product Information

Computed Properties

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