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252026-98-5

252026-98-5 structural image
Product Name: METHYL 3-[4-NITRO-2-(TRIFLUOROMETHYL)PHENOXY]-2-THIOPHENECARBOXYLATE
Formula: C13H8F3NO5S
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COMPUTED DESCRIPTORS

Molecular Weight 347.27 g/mol
XLogP3 4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 4
Exact Mass 347.00752802 g/mol
Monoisotopic Mass 347.00752802 g/mol
Topological Polar Surface Area 110 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 456
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