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Home > Pyridines > 791104-43-3
791104-43-3 | 3-Pyridinecarbonitrile, 5-[(4-cyanophenyl)ethynyl]-
CAS No: 791104-43-3 Catalog No: AG005BNF MDL No:
Product Description
Catalog Number:
AG005BNF
Chemical Name:
3-Pyridinecarbonitrile, 5-[(4-cyanophenyl)ethynyl]-
CAS Number:
791104-43-3
Molecular Formula:
C15H7N3
Molecular Weight:
229.2362
IUPAC Name:
5-[2-(4-cyanophenyl)ethynyl]pyridine-3-carbonitrile
InChI:
InChI=1S/C15H7N3/c16-8-13-4-1-12(2-5-13)3-6-14-7-15(9-17)11-18-10-14/h1-2,4-5,7,10-11H
InChI Key:
RWWMZMGIWPMAJD-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C#Cc1cncc(c1)C#N
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.242g/mol
Monoisotopic Mass:
229.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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