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150821-42-4

150821-42-4 structural image
Product Name: Benzoic acid, 4-(2,2,2-trifluoro-1-hydroxyethyl)-, (R)- (9CI)
Formula: C9H7F3O3
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COMPUTED DESCRIPTORS

Molecular Weight 220.14 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 220.03472857 g/mol
Monoisotopic Mass 220.03472857 g/mol
Topological Polar Surface Area 57.5 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 231
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes