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69806-34-4

69806-34-4 structural image
Product Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoic acid
Formula: C15H11ClF3NO4
Synonyms: 2-[4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid;Haloxyfop acid
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 179.86 Ų [M+H]+ [CCS Type: TW]

COMPUTED DESCRIPTORS

Molecular Weight 361.70 g/mol
XLogP3 4.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 5
Exact Mass 361.0328700 g/mol
Monoisotopic Mass 361.0328700 g/mol
Topological Polar Surface Area 68.6 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 429
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid is a monocarboxylic acid that is 2-phenoxypropanoic acid in which the hydrogen at the para position of the phenyl ring has been replaced by a [3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy group. It is a member of pyridines, an aromatic ether, a monocarboxylic acid, an organofluorine compound and an organochlorine compound.