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898776-86-8

898776-86-8 structural image
Product Name: ETHYL 6-(3-BROMO-4-METHYLPHENYL)-6-OXOHEXANOATE
Formula: C15H19BrO3
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COMPUTED DESCRIPTORS

Molecular Weight 327.21 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 8
Exact Mass 326.05176 g/mol
Monoisotopic Mass 326.05176 g/mol
Topological Polar Surface Area 43.4 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 304
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