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898760-94-6

898760-94-6 structural image
Product Name: 1-(4-BROMO-3-METHYLPHENYL)-5-CHLORO-1-OXOPENTANE
Formula: C12H14BrClO
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COMPUTED DESCRIPTORS

Molecular Weight 289.59 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 5
Exact Mass 287.99166 g/mol
Monoisotopic Mass 287.99166 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 208
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