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898776-92-6

898776-92-6 structural image
Product Name: ETHYL 4-(4-BROMO-2-METHYLPHENYL)-4-OXOBUTYRATE
Formula: C13H15BrO3
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COMPUTED DESCRIPTORS

Molecular Weight 299.16 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 298.02046 g/mol
Monoisotopic Mass 298.02046 g/mol
Topological Polar Surface Area 43.4 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 278
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