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318247-40-4

318247-40-4 structural image
Product Name: 3-CHLORO-2-(3-(4-NITRO-3-[(PHENYLSULFONYL)METHYL]PHENYL)-1H-PYRAZOL-1-YL)-5-(TRIFLUOROMETHYL)PYRIDINE
Formula: C22H14ClF3N4O4S
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COMPUTED DESCRIPTORS

Molecular Weight 522.9 g/mol
XLogP3 4.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 5
Exact Mass 522.0376383 g/mol
Monoisotopic Mass 522.0376383 g/mol
Topological Polar Surface Area 119 Ų
Heavy Atom Count 35
Formal Charge 0
Complexity 847
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