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477869-83-3

477869-83-3 structural image
Product Name: 2-(3,5-DIBROMO-1H-1,2,4-TRIAZOL-1-YL)ACETONITRILE
Formula: C4H2Br2N4
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COMPUTED DESCRIPTORS

Molecular Weight 265.89 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 265.86257 g/mol
Monoisotopic Mass 263.86462 g/mol
Topological Polar Surface Area 54.5 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 164
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