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938176-46-6

938176-46-6 structural image
Product Name: 1-(5-BROMO-2-THIENYL)-3-(DIMETHYLAMINO)-2-PROPEN-1-ONE
Formula: C9H10BrNOS
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >39 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 260.15 g/mol
XLogP3 3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 258.96665 g/mol
Monoisotopic Mass 258.96665 g/mol
Topological Polar Surface Area 48.6 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 218
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes