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Home > Pyridines > 823227-37-8
823227-37-8 | Benzonitrile, 2-[[2-(2-pyridinylethynyl)phenyl]ethynyl]-
CAS No: 823227-37-8 Catalog No: AG00548F MDL No:
Product Description
Catalog Number:
AG00548F
Chemical Name:
Benzonitrile, 2-[[2-(2-pyridinylethynyl)phenyl]ethynyl]-
CAS Number:
823227-37-8
Molecular Formula:
C22H12N2
Molecular Weight:
304.3441
IUPAC Name:
2-[2-[2-(2-pyridin-2-ylethynyl)phenyl]ethynyl]benzonitrile
InChI:
InChI=1S/C22H12N2/c23-17-21-10-4-3-9-20(21)13-12-18-7-1-2-8-19(18)14-15-22-11-5-6-16-24-22/h1-11,16H
InChI Key:
WBOUYONPDVVSAT-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1C#Cc1ccccc1C#Cc1ccccn1
NSC Number:
730975
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.1g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.352g/mol
Monoisotopic Mass:
304.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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