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56400-88-5

56400-88-5 structural image
Product Name: Ethanone, 2-bromo-1-(5-methyl-3-isoxazolyl)-
Formula: C6H6BrNO2
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COMPUTED DESCRIPTORS

Molecular Weight 204.02 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 202.95819 g/mol
Monoisotopic Mass 202.95819 g/mol
Topological Polar Surface Area 43.1 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 140
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