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68123-13-7

68123-13-7 structural image
Product Name: BASIC BLUE 99
Formula: C19H20BrClN4O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Black odorless powder; [EC: SCCS - Opinion]
Chemical Classes Dyes -> Other Dyes

COMPUTED DESCRIPTORS

Molecular Weight 451.7 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 450.04582 g/mol
Monoisotopic Mass 450.04582 g/mol
Topological Polar Surface Area 102 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 628
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 2
Compound Is Canonicalized Yes

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