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Home > Aldehydes > 922726-31-6
922726-31-6 | 4-Pyrimidinecarboxaldehyde, 6-[2,2'-bipyridin]-6-yl-2-phenyl-
CAS No: 922726-31-6 Catalog No: AG0069S3 MDL No:
Product Description
Catalog Number:
AG0069S3
Chemical Name:
4-Pyrimidinecarboxaldehyde, 6-[2,2'-bipyridin]-6-yl-2-phenyl-
CAS Number:
922726-31-6
Molecular Formula:
C21H14N4O
Molecular Weight:
338.3621
IUPAC Name:
2-phenyl-6-(6-pyridin-2-ylpyridin-2-yl)pyrimidine-4-carbaldehyde
InChI:
InChI=1S/C21H14N4O/c26-14-16-13-20(25-21(23-16)15-7-2-1-3-8-15)19-11-6-10-18(24-19)17-9-4-5-12-22-17/h1-14H
InChI Key:
PYMQDGBLKRFVJC-UHFFFAOYSA-N
SMILES:
O=Cc1cc(nc(n1)c1ccccc1)c1cccc(n1)c1ccccn1
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.117g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.37g/mol
Monoisotopic Mass:
338.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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