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105359-81-7

105359-81-7 structural image
Product Name: Benzene, 1-isocyano-2-(trifluoromethyl)- (9CI)
Formula: C8H4F3N
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COMPUTED DESCRIPTORS

Molecular Weight 171.12 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 0
Exact Mass 171.02958362 g/mol
Monoisotopic Mass 171.02958362 g/mol
Topological Polar Surface Area 4.4 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 200
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