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1017789-57-9

1017789-57-9 structural image
Product Name: ETHYL 2-(4-FLUORO-2-NITROPHENYL)-3-OXO-BUTYRATE
Formula: C12H12FNO5
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COMPUTED DESCRIPTORS

Molecular Weight 269.23 g/mol
XLogP3 2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 269.06995065 g/mol
Monoisotopic Mass 269.06995065 g/mol
Topological Polar Surface Area 89.2 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 368
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes