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594839-88-0

594839-88-0 structural image
Product Name: 2-(3,5-Dichlorophenyl)-6-benzoxazole carboxylic acid
Formula: C14H7Cl2NO3
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >50mg/mL

COMPUTED DESCRIPTORS

Molecular Weight 308.1 g/mol
XLogP3 4.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 306.9802985 g/mol
Monoisotopic Mass 306.9802985 g/mol
Topological Polar Surface Area 63.3 Ų
Heavy Atom Count 20
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

Tafamidis is a member of the class of 1,3-benzoxazoles that is 1,3-benzoxazole-6-carboxylic acid in which the hydrogen at position 2 is replaced by a 3,5-dichlorophenyl group. Used (as its meglumine salt) for the amelioration of transthyretin-related hereditary amyloidosis. It has a role as a central nervous system drug. It is a member of 1,3-benzoxazoles, a monocarboxylic acid and a dichlorobenzene. It is a conjugate acid of a tafamidis(1-).

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