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136191-64-5

136191-64-5 structural image
Product Name: PYRIMINOBAC-METHYL (E)
Formula: C17H19N3O6
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 105 - 106 °C
LogP 2.84

COMPUTED DESCRIPTORS

Molecular Weight 361.3 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 8
Exact Mass 361.12738533 g/mol
Monoisotopic Mass 361.12738533 g/mol
Topological Polar Surface Area 101 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 477
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Pyriminobac-methyl is a benzoate ester resulting from the formal condensation of the carboxy group of pyriminobac with methanol. It has a role as an EC 2.2.1.6 (acetolactate synthase) inhibitor and a herbicide. It is an aromatic ether, an oxime O-ether, a member of pyrimidines, a benzoate ester and a methyl ester. It is functionally related to a pyriminobac.