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113046-72-3

113046-72-3 structural image
Product Name: Ethyl 6,7-difluoro-1-methyl-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
Formula: C14H11F2NO3S
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COMPUTED DESCRIPTORS

Molecular Weight 311.31 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 3
Exact Mass 311.04277071 g/mol
Monoisotopic Mass 311.04277071 g/mol
Topological Polar Surface Area 71.9 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 524
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