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56507-37-0

56507-37-0 structural image
Product Name: METRIBUZIN-DIKETO
Formula: C7H12N4O2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1683.7

COMPUTED DESCRIPTORS

Molecular Weight 184.20 g/mol
XLogP3 -0.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 184.09602564 g/mol
Monoisotopic Mass 184.09602564 g/mol
Topological Polar Surface Area 87.8 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 289
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

Metribuzin-diketo is a member of the class of 1,2,4-triazines that is 1,2,4-triazine-3,5(2H,4H)-dione substituted by an amino group at position 4 and a tert-butyl group at position 6. It is a metabolite of metribuzin. It has a role as a marine xenobiotic metabolite. It is a diketone and a member of 1,2,4-triazines.