CAS 113682-56-7 | Pyridine, 4,4'-(1,4-phenylene)bis- | CAS Number 113682-56-7

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113682-56-7 | Pyridine, 4,4'-(1,4-phenylene)bis-

CAS No: 113682-56-7 Catalog No: AG0009AY MDL No:MFCD00445845

Product Description

Catalog Number:

AG0009AY

Chemical Name:

Pyridine, 4,4'-(1,4-phenylene)bis-

CAS Number:

113682-56-7

Molecular Formula:

C16H12N2

Molecular Weight:

232.2799

MDL Number:

MFCD00445845

IUPAC Name:

4-(4-pyridin-4-ylphenyl)pyridine

InChI:

InChI=1S/C16H12N2/c1-2-14(16-7-11-18-12-8-16)4-3-13(1)15-5-9-17-10-6-15/h1-12H

InChI Key:

MAWKLXRVKVOYLR-UHFFFAOYSA-N

SMILES:

n1ccc(cc1)c1ccc(cc1)c1ccncc1

Properties

Complexity:

208

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

232.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

232.286g/mol

Monoisotopic Mass:

232.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

25.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Synthetic and computational studies on factors controlling structures of molecular triangles and squares and their equilibrium in solutions.	Inorganic chemistry 20100215
Flexible two-dimensional square-grid coordination polymers: structures and functions.	International journal of molecular sciences 20100101