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2220179-96-2

2220179-96-2 structural image
Product Name: Benzenamine, 4,4′-[4,8-bis[(2-ethylhexyl)oxy]-1,1,5,5-tetraoxidobenzo[1,2-b:4,5-b′]dithiophene-2,6-diyl]bis[N,N-diphenyl-
Formula: C62H64N2O6S2
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COMPUTED DESCRIPTORS

Molecular Weight 997.3 g/mol
XLogP3 16.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 22
Exact Mass 996.42058011 g/mol
Monoisotopic Mass 996.42058011 g/mol
Topological Polar Surface Area 110 Ų
Heavy Atom Count 72
Formal Charge 0
Complexity 1760
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes