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113123-08-3

113123-08-3 structural image
Product Name: 1-(2,2,2-TRIFLUOROACETYL)-1A,5B-DIHYDROTHIENO[2',3':4,5]CYCLOPENTA[1,2-B]AZIREN-2(1H)-ONE
Formula: C9H4F3NO2S
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COMPUTED DESCRIPTORS

Molecular Weight 247.20 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 0
Exact Mass 246.99148403 g/mol
Monoisotopic Mass 246.99148403 g/mol
Topological Polar Surface Area 65.4 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 383
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes