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1172623-96-9

1172623-96-9 structural image
Product Name: tert-butyl 1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-ylcarbaMate
Formula: C16H17F2NO3
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COMPUTED DESCRIPTORS

Molecular Weight 309.31 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 309.11764973 g/mol
Monoisotopic Mass 309.11764973 g/mol
Topological Polar Surface Area 55.4 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 464
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