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1505851-88-6

1505851-88-6 structural image
Product Name: Benzeneacetic acid, α,2,5-trifluoro-
Formula: C8H5F3O2
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COMPUTED DESCRIPTORS

Molecular Weight 190.12 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 190.02416388 g/mol
Monoisotopic Mass 190.02416388 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 198
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