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140404-06-4 | Pentanamide, 4,4'-azobis[4-cyano-N-(trichloroacetyl)- (9CI)
CAS No: 140404-06-4 Catalog No: AG001CCQ MDL No:
Product Description
Catalog Number:
AG001CCQ
Chemical Name:
Pentanamide, 4,4'-azobis[4-cyano-N-(trichloroacetyl)- (9CI)
CAS Number:
140404-06-4
Molecular Formula:
C16H16Cl6N6O4
Molecular Weight:
569.0540
IUPAC Name:
4-cyano-4-[[2-cyano-5-oxo-5-[(2,2,2-trichloroacetyl)amino]pentan-2-yl]diazenyl]-N-(2,2,2-trichloroacetyl)pentanamide
InChI:
InChI=1S/C16H16Cl6N6O4/c1-13(7-23,5-3-9(29)25-11(31)15(17,18)19)27-28-14(2,8-24)6-4-10(30)26-12(32)16(20,21)22/h3-6H2,1-2H3,(H,25,29,31)(H,26,30,32)
InChI Key:
YZAXCWPKOONQFX-UHFFFAOYSA-N
SMILES:
N#CC(N=NC(C#N)(CCC(=O)NC(=O)C(Cl)(Cl)Cl)C)(CCC(=O)NC(=O)C(Cl)(Cl)Cl)C
Properties
Complexity:
824
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
567.933g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
569.042g/mol
Monoisotopic Mass:
565.936g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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