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1000018-22-3

1000018-22-3 structural image
Product Name: tert-Butyl 4-[5-bromo-3-(methoxycarbonyl)pyridin-2-yl]piperazine-1-carboxylate
Formula: C16H22BrN3O4
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COMPUTED DESCRIPTORS

Molecular Weight 400.27 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 399.07937 g/mol
Monoisotopic Mass 399.07937 g/mol
Topological Polar Surface Area 72 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 461
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