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12236-92-9

12236-92-9 structural image
Product Name: Reactive Blue 49
Formula: C32H23ClN7O11S3.3Na
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COMPUTED DESCRIPTORS

Molecular Weight 816.2 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 7
Hydrogen Bond Acceptor Count 18
Rotatable Bond Count 9
Exact Mass 815.0540959 g/mol
Monoisotopic Mass 815.0540959 g/mol
Topological Polar Surface Area 323 Ų
Heavy Atom Count 54
Formal Charge 0
Complexity 1740
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