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12226-61-8

Product Name: Reactive Yellow 39
Formula: C19H12BrCl2N5Na2O8S2
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COMPUTED DESCRIPTORS

Molecular Weight 655.3 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 7
Exact Mass 652.88442 g/mol
Monoisotopic Mass 652.88442 g/mol
Topological Polar Surface Area 212 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 1220
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes