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3506-70-5

3506-70-5 structural image
Product Name: 4-(3-bromophenyl)butan-2-one
Formula: C10H11BrO
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COMPUTED DESCRIPTORS

Molecular Weight 227.10 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 3
Exact Mass 225.99933 g/mol
Monoisotopic Mass 225.99933 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 156
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