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85598-51-2

85598-51-2 structural image
Product Name: 3-nitrothiophene-2-carbonitrile
Formula: C5H2N2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 154.15 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 0
Exact Mass 153.98369848 g/mol
Monoisotopic Mass 153.98369848 g/mol
Topological Polar Surface Area 97.8 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 192
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