CAS 168289-78-9 1,3,5-tris(pyridin-4-ylethynyl)benzene

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1,3,5-tris(pyridin-4-ylethynyl)benzene

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Catalog Number

ACM168289789-1

CAS Number

168289-78-9

Product Name

1,3,5-tris(pyridin-4-ylethynyl)benzene

Structure

Category

Nitrogen-containing MOF ligand-ternary nitrogen-containing MOF ligand

IUPAC Name

4-[2-[3,5-bis(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine

Molecular Weight

381.4g/mol

Molecular Formula

C27H15N3

InChI

InChI=1S/C27H15N3/c1(22-7-13-28-14-8-22)4-25-19-26(5-2-23-9-15-29-16-10-23)21-27(20-25)6-3-24-11-17-30-18-12-24/h7-21H

InChI Key

BBEZONFKGMUPNJ-UHFFFAOYSA-N

Complexity

625

Compound Is Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

381.126597491g/mol

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

381.126597491g/mol

Rotatable Bond Count

Topological Polar Surface Area

38.7Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

4.8

MSDS

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COA

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Spec Sheet

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