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1189694-49-2

1189694-49-2 structural image
Product Name: 6-CHLORO-4-[(2,2,3,3-D4-CYCLOPROPYLETHYNYL)TRIFLUOROMETHYLHYDROXYMETHYL]-3H-BENZOXAZOL-2-ONE
Formula: C14H9ClF3NO3
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COMPUTED DESCRIPTORS

Molecular Weight 335.70 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 335.0474123 g/mol
Monoisotopic Mass 335.0474123 g/mol
Topological Polar Surface Area 58.6 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 551
Isotope Atom Count 4
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