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324009-04-3

324009-04-3 structural image
Product Name: ETHYL 2-([4-CYANO-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL]SULFANYL)PROPANOATE
Formula: C11H12F3N3O2S
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COMPUTED DESCRIPTORS

Molecular Weight 307.29 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 5
Exact Mass 307.06023229 g/mol
Monoisotopic Mass 307.06023229 g/mol
Topological Polar Surface Area 93.2 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 410
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes