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213597-92-3

213597-92-3 structural image
Product Name: 5-Iodo-7-nitro-1,2,3,4-tetrahydro-isoquinoline
Formula: C9H9IN2O2
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COMPUTED DESCRIPTORS

Molecular Weight 304.08 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 303.97088 g/mol
Monoisotopic Mass 303.97088 g/mol
Topological Polar Surface Area 57.8 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 231
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