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1049742-66-6

1049742-66-6 structural image
Product Name: (S)-(2-NITROBENZYL)-PROLINE-HCL
Formula: C12H15ClN2O4
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COMPUTED DESCRIPTORS

Molecular Weight 286.71 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 286.0720347 g/mol
Monoisotopic Mass 286.0720347 g/mol
Topological Polar Surface Area 95.2 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 342
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes