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1032506-69-6

1032506-69-6 structural image
Product Name: 4-(3,4-DIFLUORO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER
Formula: C12H12F2O3
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COMPUTED DESCRIPTORS

Molecular Weight 242.22 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 242.07545056 g/mol
Monoisotopic Mass 242.07545056 g/mol
Topological Polar Surface Area 43.4 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 281
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