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139975-78-3

139975-78-3 structural image
Product Name: 3-(5-BROMO-2-METHYL-4-NITRO-1H-IMIDAZOL-1-YL)PROPANENITRILE
Formula: C7H7BrN4O2
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COMPUTED DESCRIPTORS

Molecular Weight 259.06 g/mol
XLogP3 0.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 257.97524 g/mol
Monoisotopic Mass 257.97524 g/mol
Topological Polar Surface Area 87.4 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 271
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