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1235406-47-9

1235406-47-9 structural image
Product Name: N-(1-(tert-butyl)-4-(5-chloro-2-hydroxyphenyl)-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide
Formula: C15H15ClF3N3O2
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COMPUTED DESCRIPTORS

Molecular Weight 361.74 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 361.0804889 g/mol
Monoisotopic Mass 361.0804889 g/mol
Topological Polar Surface Area 67.2 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 470
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