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478260-15-0

478260-15-0 structural image
Product Name: 3-(1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOIC ACID
Formula: C18H14F3NO3
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COMPUTED DESCRIPTORS

Molecular Weight 349.3 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 349.09257779 g/mol
Monoisotopic Mass 349.09257779 g/mol
Topological Polar Surface Area 57.6 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 522
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