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Dichloroprop-P - analytical standard, high purity , CAS No.15165-67-0
Basic Description
Synonyms
FTV | GTPL5277 | A884073 | F20623 | DTXSID0034851 | EC 403-980-1 | Optica DP | Tox21_303875 | 0UD1MQP96O | AKOS024262245 | (+)-2-(2,4-dichlorophenoxy)propanoic acid | D-dichlorprop | DICHLORPROP R-(+)-FORM [MI] | Dichlorprop-P [ISO:BSI] | (+)-Dichlorprop
Specifications & Purity
analytical standard
Shipped In
Normal
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
2-phenoxypropionic acids
Alternative Parents
Phenoxyacetic acid derivatives Phenoxy compounds Phenol ethers Dichlorobenzenes Alkyl aryl ethers Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-phenoxypropionic acid - Phenoxyacetate - Phenoxy compound - Phenol ether - 1,3-dichlorobenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organochloride - Organic oxide - Organohalogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-phenoxypropionic acids. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid.
External Descriptors
2-(2,4-dichlorophenoxy)propanoic acid
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.
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-(2,4-dichlorophenoxy)propanoic acid
INCHI
InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1
InChIKey
MZHCENGPTKEIGP-RXMQYKEDSA-N
Smiles
CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl
Isomeric SMILES
C[C@H](C(=O)O)OC1=C(C=C(C=C1)Cl)Cl
WGK Germany
1
RTECS
UA2458860
Molecular Weight
235.06
Beilstein
5265110
Reaxy-Rn
3203103
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3203103&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
121-123°C
Molecular Weight
235.060 g/mol
XLogP3
3.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
233.985 Da
Monoisotopic Mass
233.985 Da
Topological Polar Surface Area
46.500 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
210.000
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
Citations of This Product
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2 Citations
L2205136