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6844-73-1

6844-73-1 structural image
Product Name: Mordant Blue 18
Formula: C18H12ClN3Na2O9S2
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COMPUTED DESCRIPTORS

Molecular Weight 561.9 g/mol
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 5
Exact Mass 560.9655376 g/mol
Monoisotopic Mass 560.9655376 g/mol
Topological Polar Surface Area 220 Ų
Heavy Atom Count 35
Formal Charge 0
Complexity 966
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 3
Compound Is Canonicalized Yes