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36877-68-6

36877-68-6 structural image
Product Name: 2-nitro-1H-imidazole
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CHEMICAL AND PHYSICAL PROPERTIES

Ionization Efficiency Positive

COMPUTED DESCRIPTORS

Molecular Weight 113.08 g/mol
XLogP3 0.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 113.022526347 g/mol
Monoisotopic Mass 113.022526347 g/mol
Topological Polar Surface Area 74.5 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 99.2
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

2-nitroimidazole is an imidazole that is 1H-imidazole substituted at position 2 by a nitro group. It has a role as an antitubercular agent. It is a C-nitro compound and a member of imidazoles. It is functionally related to a 1H-imidazole.