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10552-74-6

10552-74-6 structural image
Product Name: NITROTHAL-ISOPROPYL
Formula: C14H17NO6
Synonyms: Diisopropyl 5-nitroisophthalate
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 2007 2013 2009 1995.7 1991.7 1966 1990

COMPUTED DESCRIPTORS

Molecular Weight 295.29 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 295.10558726 g/mol
Monoisotopic Mass 295.10558726 g/mol
Topological Polar Surface Area 98.4 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 371
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

Nitrothal-isopropyl is a nitrobenzoic acid, an isopropyl ester and a diester.