The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
O-(2-Chloro-4-nitrophenyl) O-isopropyl ethylphosphonothioate , Peroxisome proliferator-activated receptor gamma agonist, CAS No.328-04-1, Peroxisome proliferator-activated receptor gamma agonist
Basic Description
Synonyms
Phosphonothioic acid,ethyl-,o-(2-chloro-4-nitrophenyl)o-(1-methylethyl)ester(9ci) | BRN 1890353 | Phosphonothioic acid, ethyl-, O-(2-chloro-4-nitrophenyl) O-isopropyl ester | OMS-405 | AI 3-25755 | SCHEMBL5933897 | OMS 405 | Q27291921 | O-(2-Chloro-4-nitr
Action Type
AGONIST
Mechanism of action
Peroxisome proliferator-activated receptor gamma agonist
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Phenoxy compounds Nitroaromatic compounds Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organothiophosphorus compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organothiophosphorus compound - Organic oxoazanium - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organooxygen compound - Organohalogen compound - Organophosphorus compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
(2-chloro-4-nitrophenoxy)-ethyl-propan-2-yloxy-sulfanylidene-lambda5-phosphane
INCHI
InChI=1S/C11H15ClNO4PS/c1-4-18(19,16-8(2)3)17-11-6-5-9(13(14)15)7-10(11)12/h5-8H,4H2,1-3H3
InChIKey
QINWTFKFPMRNJP-UHFFFAOYSA-N
Smiles
CCP(=S)(OC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(C)C
Isomeric SMILES
CCP(=S)(OC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(C)C
PubChem CID
67599
Molecular Weight
323.73
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
323.730 g/mol
XLogP3
4.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
5
Exact Mass
323.015 Da
Monoisotopic Mass
323.015 Da
Topological Polar Surface Area
96.400 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
363.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
