10552-74-6
Product Name:
NITROTHAL-ISOPROPYL
Formula:
C14H17NO6
Synonyms:
Diisopropyl 5-nitroisophthalate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 2007 2013 2009 1995.7 1991.7 1966 1990 |
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COMPUTED DESCRIPTORS
Molecular Weight | 295.29 g/mol |
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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.