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956778-61-3

956778-61-3 structural image
Product Name: 3-amino-5-(4-fluoro-3-methylanilino)-1-methyl-1H-pyrazole-4-carbonitrile
Formula: C12H12FN5
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COMPUTED DESCRIPTORS

Molecular Weight 245.26 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 245.10767357 g/mol
Monoisotopic Mass 245.10767357 g/mol
Topological Polar Surface Area 79.7 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 341
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