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6539-67-9

6539-67-9 structural image
Product Name: Reactive Yellow 3
Formula: C21H17ClN8O7S2
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COMPUTED DESCRIPTORS

Molecular Weight 593.0 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 7
Exact Mass 592.0350150 g/mol
Monoisotopic Mass 592.0350150 g/mol
Topological Polar Surface Area 256 Ų
Heavy Atom Count 39
Formal Charge 0
Complexity 1120
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes