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1,4-bis(pyridin-4-ylethynyl)benzene

Catalog Number
ACM158525010-2
Product Name
1,4-bis(pyridin-4-ylethynyl)benzene
CAS
158525-01-0
Category
Customizable MOF Linkers
Synonyms
Bis[(pyridyl)​ethynyl]​benzene
IUPAC Name
4-[2-[4-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine
Molecular Weight
280.32
Molecular Formula
C20H12N2
InChI
InChI=1S/C20H12N2/c1-2-18(6-8-20-11-15-22-16-12-20)4-3-17(1)5-7-19-9-13-21-14-10-19/h1-4,9-16H
InChI Key
ONNGGLJSLBGWLB-UHFFFAOYSA-N
Purity
98%
Appearance
Yellowish powder
Complexity
417
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
280.100048391g/mol
Formal Charge
0
Heavy Atom Count
22
Hydrogen Bond Acceptor Count
2
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
280.100048391g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
25.8Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
3.8
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