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959238-76-7

959238-76-7 structural image
Product Name: 1H-INDOLE-3-CARBOXYLIC ACID,4-(TRIFLUOROMETHYL)-
Formula: C10H6F3NO2
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COMPUTED DESCRIPTORS

Molecular Weight 229.15 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 229.03506292 g/mol
Monoisotopic Mass 229.03506292 g/mol
Topological Polar Surface Area 53.1 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 292
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes