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Home > Nitro Compounds > 86625-38-9
86625-38-9 | 3,5-Pyridinedicarbonitrile, 2,2'-dithiobis[4-(4-nitrophenyl)-6-phenyl-
CAS No: 86625-38-9 Catalog No: AG004L01 MDL No:
Product Description
Catalog Number:
AG004L01
Chemical Name:
3,5-Pyridinedicarbonitrile, 2,2'-dithiobis[4-(4-nitrophenyl)-6-phenyl-
CAS Number:
86625-38-9
Molecular Formula:
C38H18N8O4S2
Molecular Weight:
714.7307
IUPAC Name:
2-[[3,5-dicyano-4-(4-nitrophenyl)-6-phenylpyridin-2-yl]disulfanyl]-4-(4-nitrophenyl)-6-phenylpyridine-3,5-dicarbonitrile
InChI:
InChI=1S/C38H18N8O4S2/c39-19-29-33(23-11-15-27(16-12-23)45(47)48)31(21-41)37(43-35(29)25-7-3-1-4-8-25)51-52-38-32(22-42)34(24-13-17-28(18-14-24)46(49)50)30(20-40)36(44-38)26-9-5-2-6-10-26/h1-18H
InChI Key:
IRROBDVWBQRLEJ-UHFFFAOYSA-N
SMILES:
N#Cc1c(SSc2nc(c3ccccc3)c(c(c2C#N)c2ccc(cc2)[N+](=O)[O-])C#N)nc(c(c1c1ccc(cc1)[N+](=O)[O-])C#N)c1ccccc1
Properties
Complexity:
1350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
714.089g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
714.734g/mol
Monoisotopic Mass:
714.089g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
263A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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