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54940-95-3

54940-95-3 structural image
Product Name: Nitrocaphane
Formula: C14H19O4N3CL2
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COMPUTED DESCRIPTORS

Molecular Weight 364.2 g/mol
XLogP3 -0.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 9
Exact Mass 363.0752615 g/mol
Monoisotopic Mass 363.0752615 g/mol
Topological Polar Surface Area 112 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 389
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