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76982-31-5

76982-31-5 structural image
Product Name: 5-AMINO-3-METHYL-1-(4-NITROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
Formula: C11H9N5O2
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COMPUTED DESCRIPTORS

Molecular Weight 243.22 g/mol
XLogP3 2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 243.07562455 g/mol
Monoisotopic Mass 243.07562455 g/mol
Topological Polar Surface Area 113 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 365
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