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12235-96-0

12235-96-0 structural image
Product Name: Disperse Blue 94
Formula: C20H20BrN7O7
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COMPUTED DESCRIPTORS

Molecular Weight 550.3 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 9
Exact Mass 549.06076 g/mol
Monoisotopic Mass 549.06076 g/mol
Topological Polar Surface Area 202 Ų
Heavy Atom Count 35
Formal Charge 0
Complexity 827
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