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1209597-12-5

1209597-12-5 structural image
Product Name: 6-Bromo-2-tert-butyl-4-oxo-1,4-dihydroquinoline-3-carbonitrile
Formula: C14H13BrN2O
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COMPUTED DESCRIPTORS

Molecular Weight 305.17 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 304.02113 g/mol
Monoisotopic Mass 304.02113 g/mol
Topological Polar Surface Area 52.9 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 452
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