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882-09-7

882-09-7 structural image
Product Name: 2-(4-Chlorophenoxy)-2-methylpropionic acid
Formula: C10H11ClO3
Synonyms: α-(p-Chlorophenoxy)isobutyric acid;2-(p-Chlorophenoxy)-2-methylpropionic acid;Clofibric acid
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CHEMICAL AND PHYSICAL PROPERTIES

Ionization Efficiency Positive
Collision Cross Section 146.6 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 214.64 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 214.0396719 g/mol
Monoisotopic Mass 214.0396719 g/mol
Topological Polar Surface Area 46.5 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 207
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

Clofibric acid is a monocarboxylic acid that is isobutyric acid substituted at position 2 by a p-chlorophenoxy group. It is a metabolite of the drug clofibrate. It has a role as an anticholesteremic drug, an antilipemic drug, a PPARalpha agonist, an antineoplastic agent, a marine xenobiotic metabolite and a herbicide. It is a monocarboxylic acid, an aromatic ether and a member of monochlorobenzenes. It is functionally related to an isobutyric acid.