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123732-85-4

123732-85-4 structural image
Product Name: Propachlor ESA Na-salt, Pestanal
Formula: C11H14NO4S.Na
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COMPUTED DESCRIPTORS

Molecular Weight 257.31 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 257.07217913 g/mol
Monoisotopic Mass 257.07217913 g/mol
Topological Polar Surface Area 83.1 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 352
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

PRODUCT INTRODUCTION

description

Propachlor ESA is an organosulfonic acid that is 2-oxoethanesulfonic acid substituted by a phenyl(propan-2-yl)amino group at position 2. It is a metabolite of the herbicide propachlor. It has a role as a marine xenobiotic metabolite. It is an anilide and an organosulfonic acid.