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587-19-9

587-19-9 structural image
Product Name: 4-TRIFLUOROMETHYLTHIO-BENZOIC ACID ETHYL ESTER
Formula: C10H9F3O2S
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COMPUTED DESCRIPTORS

Molecular Weight 250.24 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 250.02753519 g/mol
Monoisotopic Mass 250.02753519 g/mol
Topological Polar Surface Area 51.6 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 235
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

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