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59283-75-9

59283-75-9 structural image
Product Name: 4-hydroxylamino-2,6-dinitrotoluene
Formula: C7H7N3O5
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COMPUTED DESCRIPTORS

Molecular Weight 213.15 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 1
Exact Mass 213.03857033 g/mol
Monoisotopic Mass 213.03857033 g/mol
Topological Polar Surface Area 124 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 236
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

4-hydroxylamino-2,6-dinitrotoluene is a member of the class of nitrotoluenes that is 2,6-dinitrotoluene bearing an additional hydroxylamino substituent at position 4. It has a role as a xenobiotic metabolite. It is a nitrotoluene and a member of hydroxylamines.