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318517-42-9

318517-42-9 structural image
Product Name: 1-[3-(METHYLAMINO)-4-NITRO-1H-PYRAZOL-1-YL]-1-ETHANONE
Formula: C6H8N4O3
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COMPUTED DESCRIPTORS

Molecular Weight 184.15 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 184.05964013 g/mol
Monoisotopic Mass 184.05964013 g/mol
Topological Polar Surface Area 92.7 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 226
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