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12222-79-6

12222-79-6 structural image
Product Name: Disperse Blue 81
Formula: C14H9BrN2O4
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Pellets or Large Crystals

COMPUTED DESCRIPTORS

Molecular Weight 349.14 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 0
Exact Mass 347.97457 g/mol
Monoisotopic Mass 347.97457 g/mol
Topological Polar Surface Area 127 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 474
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