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138621-69-9

138621-69-9 structural image
Product Name: 2,2,2-TRIFLUORO-N-(7-OXO-6,7-DIHYDRO-5H-INDENO[5,6-D][1,3]DIOXOL-5-YL)-ACETAMIDE
Formula: C12H8F3NO4
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 42.3 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 287.19 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 1
Exact Mass 287.04054222 g/mol
Monoisotopic Mass 287.04054222 g/mol
Topological Polar Surface Area 64.6 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 439
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