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12236-93-0

Product Name: Reactive Brown 2
Formula: C31H20ClN9Na4O12S4
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COMPUTED DESCRIPTORS

Molecular Weight 966.2 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 21
Rotatable Bond Count 6
Exact Mass 964.9393566 g/mol
Monoisotopic Mass 964.9393566 g/mol
Topological Polar Surface Area 389 Ų
Heavy Atom Count 61
Formal Charge 0
Complexity 1890
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 5
Compound Is Canonicalized Yes