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40832-88-0

40832-88-0 structural image
Product Name: 1-(2-NITRO-PHENYL)-AZEPANE
Formula: C12H16N2O2
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COMPUTED DESCRIPTORS

Molecular Weight 220.27 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 220.121177757 g/mol
Monoisotopic Mass 220.121177757 g/mol
Topological Polar Surface Area 49.1 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 232
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