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111079-04-0

111079-04-0 structural image
Product Name: 3-TRIFLUOROMETHYL-5-METHYL-1-(PHENYL)PYRAZOLE
Formula: C11H9F3N2
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COMPUTED DESCRIPTORS

Molecular Weight 226.20 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 226.07178278 g/mol
Monoisotopic Mass 226.07178278 g/mol
Topological Polar Surface Area 17.8 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 236
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