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321553-21-3

321553-21-3 structural image
Product Name: 5-[(4-CHLOROPHENYL)SULFANYL]-4-([(ISOBUTYRYLOXY)IMINO]METHYL)-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE
Formula: C16H15ClF3N3O2S
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COMPUTED DESCRIPTORS

Molecular Weight 405.8 g/mol
XLogP3 5.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 6
Exact Mass 405.0525601 g/mol
Monoisotopic Mass 405.0525601 g/mol
Topological Polar Surface Area 81.8 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 514
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes