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406-97-3

406-97-3 structural image
Product Name: 1,1,1-trifluoro-3-isocyanatopropane
Formula: C4H4F3NO
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COMPUTED DESCRIPTORS

Molecular Weight 139.08 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 139.02449824 g/mol
Monoisotopic Mass 139.02449824 g/mol
Topological Polar Surface Area 29.4 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 124
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