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306730-18-7

306730-18-7 structural image
Product Name: 4-(4-BROMOPHENYL)-2-[(4-CHLOROBENZYL)SULFANYL]-4-OXOBUTANOIC ACID
Formula: C17H14BrClO3S
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COMPUTED DESCRIPTORS

Molecular Weight 413.7 g/mol
XLogP3 4.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 7
Exact Mass 411.95356 g/mol
Monoisotopic Mass 411.95356 g/mol
Topological Polar Surface Area 79.7 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 405
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes