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477867-72-4

477867-72-4 structural image
Product Name: N-ALLYL-2,3-DICHLORO-4-(ETHYLSULFONYL)BENZENECARBOXAMIDE
Formula: C12H13Cl2NO3S
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >48.3 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 322.2 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 320.9993198 g/mol
Monoisotopic Mass 320.9993198 g/mol
Topological Polar Surface Area 71.6 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 433
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