882-09-7
Product Name:
2-(4-Chlorophenoxy)-2-methylpropionic acid
Formula:
C10H11ClO3
Synonyms:
α-(p-Chlorophenoxy)isobutyric acid;2-(p-Chlorophenoxy)-2-methylpropionic acid;Clofibric acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Ionization Efficiency | Positive |
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Collision Cross Section | 146.6 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
SAFETY INFORMATION
Signal word | Warning |
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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 |
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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.