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789-07-1

789-07-1 structural image
Product Name: 2-NITROPYRENE
Formula: C16H9NO2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 422.65 424.38 424.5

COMPUTED DESCRIPTORS

Molecular Weight 247.25 g/mol
XLogP3 4.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 247.063328530 g/mol
Monoisotopic Mass 247.063328530 g/mol
Topological Polar Surface Area 45.8 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 351
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-Nitropyrene is a member of pyrenes.