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Fenoxaprop-P - analytical standard, high purity , CAS No.113158-40-0
Basic Description
Synonyms
(R)-FENOXAPROP ACID | J-002902 | (R)-2-(4-(6-chlorobenzo[d]oxazol-2-yloxy)phenoxy)propanoic acid | Propanoic acid, 2-(4-((6-chloro-2-benzoxazolyl)oxy)phenoxy)-, (R)- | Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, (2R)- | Fenoxaprop-P, PES
Specifications & Purity
analytical standard
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
2-phenoxypropionic acids
Intermediate Tree Nodes
Not available
Direct Parent
Aryloxyphenoxypropionic acids
Alternative Parents
Phenoxyacetic acid derivatives Diarylethers Benzoxazoles Phenoxy compounds Phenol ethers Alkyl aryl ethers Aryl chlorides Oxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryloxyphenoxypropionic acid - Diaryl ether - Phenoxyacetate - Benzoxazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Oxazole - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryloxyphenoxypropionic acids. These are aromatic compounds containing a phenoxypropionic acid that is para-substituted with an aryl 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.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid
INCHI
InChI=1S/C16H12ClNO5/c1-9(15(19)20)21-11-3-5-12(6-4-11)22-16-18-13-7-2-10(17)8-14(13)23-16/h2-9H,1H3,(H,19,20)/t9-/m1/s1
InChIKey
MPPOHAUSNPTFAJ-SECBINFHSA-N
Smiles
CC(C(=O)O)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl
Isomeric SMILES
C[C@H](C(=O)O)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl
Molecular Weight
333.72
Reaxy-Rn
8395406
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8395406&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
333.720 g/mol
XLogP3
3.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
5
Exact Mass
333.04 Da
Monoisotopic Mass
333.04 Da
Topological Polar Surface Area
81.800 Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
415.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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C1608070