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956193-97-8

956193-97-8 structural image
Product Name: ETHYL 5-(TRIFLUOROMETHYL)-1-[4-(TRIFLUOROMETHYL)-1,3-THIAZOL-2-YL]-1H-PYRAZOLE-4-CARBOXYLATE
Formula: C11H7F6N3O2S
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COMPUTED DESCRIPTORS

Molecular Weight 359.25 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 4
Exact Mass 359.01631662 g/mol
Monoisotopic Mass 359.01631662 g/mol
Topological Polar Surface Area 85.2 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 447
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