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250261-39-3

250261-39-3 structural image
Product Name: ETHYL 2-CHLORO-3,3,3-TRIFLUORO-2-ISOCYANATOPROPANOATE
Formula: C6H5ClF3NO3
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COMPUTED DESCRIPTORS

Molecular Weight 231.56 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 4
Exact Mass 230.9910052 g/mol
Monoisotopic Mass 230.9910052 g/mol
Topological Polar Surface Area 55.7 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 274
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