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Home > Nitro Compounds > 86634-62-0
86634-62-0 | 3,5-Pyridinedicarbonitrile, 2-(methylthio)-4-(4-nitrophenyl)-6-phenyl-
CAS No: 86634-62-0 Catalog No: AG004KZJ MDL No:
Product Description
Catalog Number:
AG004KZJ
Chemical Name:
3,5-Pyridinedicarbonitrile, 2-(methylthio)-4-(4-nitrophenyl)-6-phenyl-
CAS Number:
86634-62-0
Molecular Formula:
C20H12N4O2S
Molecular Weight:
372.3999
IUPAC Name:
2-methylsulfanyl-4-(4-nitrophenyl)-6-phenylpyridine-3,5-dicarbonitrile
InChI:
InChI=1S/C20H12N4O2S/c1-27-20-17(12-22)18(13-7-9-15(10-8-13)24(25)26)16(11-21)19(23-20)14-5-3-2-4-6-14/h2-10H,1H3
InChI Key:
CDPRQQNAPHVETH-UHFFFAOYSA-N
SMILES:
CSc1nc(c2ccccc2)c(c(c1C#N)c1ccc(cc1)[N+](=O)[O-])C#N
Properties
Complexity:
619
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.068g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.402g/mol
Monoisotopic Mass:
372.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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