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382-17-2

382-17-2 structural image
Product Name: Propanenitrile, 3,3,3-trifluoro-2-(trifluoromethyl)-
Formula: C4HF6N
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COMPUTED DESCRIPTORS

Molecular Weight 177.05 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 0
Exact Mass 177.00131801 g/mol
Monoisotopic Mass 177.00131801 g/mol
Topological Polar Surface Area 23.8 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 165
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