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107553-79-7

107553-79-7 structural image
Product Name: 4-(4-BROMO-PHENYL)-[1,2,4]TRIAZOLE-3,5-DIONE
Formula: C8H4BrN3O2
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COMPUTED DESCRIPTORS

Molecular Weight 254.04 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 252.94869 g/mol
Monoisotopic Mass 252.94869 g/mol
Topological Polar Surface Area 62.1 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 279
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