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89572-46-3 | 3-Pyridinecarbonitrile, 6-(3,4-dimethylphenyl)-2-methoxy-4-phenyl-
CAS No: 89572-46-3 Catalog No: AG003Z97 MDL No:
Product Description
Catalog Number:
AG003Z97
Chemical Name:
3-Pyridinecarbonitrile, 6-(3,4-dimethylphenyl)-2-methoxy-4-phenyl-
CAS Number:
89572-46-3
Molecular Formula:
C21H18N2O
Molecular Weight:
314.3804
IUPAC Name:
6-(3,4-dimethylphenyl)-2-methoxy-4-phenylpyridine-3-carbonitrile
InChI:
InChI=1S/C21H18N2O/c1-14-9-10-17(11-15(14)2)20-12-18(16-7-5-4-6-8-16)19(13-22)21(23-20)24-3/h4-12H,1-3H3
InChI Key:
HDGUXVFSZUPYNU-UHFFFAOYSA-N
SMILES:
COc1nc(cc(c1C#N)c1ccccc1)c1ccc(c(c1)C)C
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.142g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.388g/mol
Monoisotopic Mass:
314.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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