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83965-72-4 | Pyridine, 2,6-bis(phenylethynyl)-
CAS No: 83965-72-4 Catalog No: AG004UNA MDL No:
Product Description
Catalog Number:
AG004UNA
Chemical Name:
Pyridine, 2,6-bis(phenylethynyl)-
CAS Number:
83965-72-4
Molecular Formula:
C21H13N
Molecular Weight:
279.3346
IUPAC Name:
2,6-bis(2-phenylethynyl)pyridine
InChI:
InChI=1S/C21H13N/c1-3-8-18(9-4-1)14-16-20-12-7-13-21(22-20)17-15-19-10-5-2-6-11-19/h1-13H
InChI Key:
FCENCNDOPQVMBT-UHFFFAOYSA-N
SMILES:
c1cc(C#Cc2ccccc2)nc(c1)C#Cc1ccccc1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.342g/mol
Monoisotopic Mass:
279.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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