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1023865-46-4

1023865-46-4 structural image
Product Name: 3-((4-(DIMETHYLAMINO)PHENYL)AMINO)-2-BROMO-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE
Formula: C16H21BrN2O
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COMPUTED DESCRIPTORS

Molecular Weight 337.25 g/mol
XLogP3 4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 336.08373 g/mol
Monoisotopic Mass 336.08373 g/mol
Topological Polar Surface Area 32.3 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 407
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