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47281-61-8

47281-61-8 structural image
Product Name: 6,7-DIMETHOXY-1-(4-NITRO-PHENYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
Formula: C17H18N2O4
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COMPUTED DESCRIPTORS

Molecular Weight 314.34 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 314.12665706 g/mol
Monoisotopic Mass 314.12665706 g/mol
Topological Polar Surface Area 76.3 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 406
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