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1213691-84-9

1213691-84-9 structural image
Product Name: METHYL (3S)-3-AMINO-3-(3,4,5-TRIFLUOROPHENYL)PROPANOATE
Formula: C10H10F3NO2
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COMPUTED DESCRIPTORS

Molecular Weight 233.19 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 233.06636305 g/mol
Monoisotopic Mass 233.06636305 g/mol
Topological Polar Surface Area 52.3 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 240
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