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252027-06-8

252027-06-8 structural image
Product Name: 2-([2-(4-BROMOANILINO)-1-(4-CHLOROPHENYL)-2-OXOETHYL]SULFANYL)ACETIC ACID
Formula: C16H13BrClNO3S
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COMPUTED DESCRIPTORS

Molecular Weight 414.7 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 412.94880 g/mol
Monoisotopic Mass 412.94880 g/mol
Topological Polar Surface Area 91.7 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 410
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