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77227-69-1

77227-69-1 structural image
Product Name: 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-N-ethylsulfonyl-2-nit ro-benzamide
Formula: C16H11ClF4N2O6S
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COMPUTED DESCRIPTORS

Molecular Weight 470.8 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 5
Exact Mass 469.9962476 g/mol
Monoisotopic Mass 469.9962476 g/mol
Topological Polar Surface Area 127 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 742
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