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144828-31-9 | 2,3-Pyrazinedicarbonitrile, 5,6-bis[4-(1,1-dimethylethyl)phenyl]-
CAS No: 144828-31-9 Catalog No: AG001K7Q MDL No:
Product Description
Catalog Number:
AG001K7Q
Chemical Name:
2,3-Pyrazinedicarbonitrile, 5,6-bis[4-(1,1-dimethylethyl)phenyl]-
CAS Number:
144828-31-9
Molecular Formula:
C26H26N4
Molecular Weight:
394.5114
IUPAC Name:
5,6-bis(4-tert-butylphenyl)pyrazine-2,3-dicarbonitrile
InChI:
InChI=1S/C26H26N4/c1-25(2,3)19-11-7-17(8-12-19)23-24(30-22(16-28)21(15-27)29-23)18-9-13-20(14-10-18)26(4,5)6/h7-14H,1-6H3
InChI Key:
XQJYDWSTTNSQAI-UHFFFAOYSA-N
SMILES:
N#Cc1nc(c2ccc(cc2)C(C)(C)C)c(nc1C#N)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
605
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.216g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.522g/mol
Monoisotopic Mass:
394.216g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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