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51868-46-3

51868-46-3 structural image
Product Name: Disperse Blue 291G
Formula: C21H21BrN6O6
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Pellets or Large Crystals; Water or Solvent Wet Solid

COMPUTED DESCRIPTORS

Molecular Weight 533.3 g/mol
XLogP3 4.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 9
Exact Mass 532.07059 g/mol
Monoisotopic Mass 532.07059 g/mol
Topological Polar Surface Area 158 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 777
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