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Home > Pyridines > 100784-53-0
100784-53-0 | 3-Pyridinecarbonitrile, 1,6-dihydro-6-oxo-2,4-diphenyl-
CAS No: 100784-53-0 Catalog No: AG0002UY MDL No:
Product Description
Catalog Number:
AG0002UY
Chemical Name:
3-Pyridinecarbonitrile, 1,6-dihydro-6-oxo-2,4-diphenyl-
CAS Number:
100784-53-0
Molecular Formula:
C18H12N2O
Molecular Weight:
272.3007
IUPAC Name:
6-oxo-2,4-diphenyl-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C18H12N2O/c19-12-16-15(13-7-3-1-4-8-13)11-17(21)20-18(16)14-9-5-2-6-10-14/h1-11H,(H,20,21)
InChI Key:
VTZYVRRFGVLBHZ-UHFFFAOYSA-N
SMILES:
N#Cc1c(cc(=O)[nH]c1c1ccccc1)c1ccccc1
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.307g/mol
Monoisotopic Mass:
272.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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