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1004643-51-9

1004643-51-9 structural image
Product Name: 2-ETHYL-4-NITRO-2 H-PYRAZOLE-3-CARBONITRILE
Formula: C6H6N4O2
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COMPUTED DESCRIPTORS

Molecular Weight 166.14 g/mol
XLogP3 0.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 166.04907545 g/mol
Monoisotopic Mass 166.04907545 g/mol
Topological Polar Surface Area 87.4 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 227
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