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852690-94-9

852690-94-9 structural image
Product Name: 3-METHYL-1-(4-NITROPHENYL)-4-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOL-5-YLAMINE
Formula: C17H13F3N4O2
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COMPUTED DESCRIPTORS

Molecular Weight 362.31 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 2
Exact Mass 362.09906016 g/mol
Monoisotopic Mass 362.09906016 g/mol
Topological Polar Surface Area 89.7 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 505
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