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78979-64-3

78979-64-3 structural image
Product Name: 2-(4-NITRO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
Formula: C12H10N2O4S
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 5.6 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 278.29 g/mol
XLogP3 3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 278.03612798 g/mol
Monoisotopic Mass 278.03612798 g/mol
Topological Polar Surface Area 113 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 339
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-(4-nitrophenyl)-4-thiazolecarboxylic acid ethyl ester is a C-nitro compound.