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Ethyl 2-(2-(4-chlorophenyl)thiazol-4-yl)acetate - 95%, high purity , CAS No.20287-70-1
Basic Description
Synonyms
Ethyl 2-(2-(4-chlorophenyl)thiazol-4-yl)acetate | 20287-70-1 | ethyl 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate | 2-(4-Chlorophenyl)-4-thiazoleacetic acid ethyl ester | Ethyl fenclozic acid | 4-Thiazoleacetic acid, 2-(4-chlorophenyl)-, ethyl ester | [2-(4-Chloro-
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Thiazoles
Intermediate Tree Nodes
Not available
Direct Parent
2,4-disubstituted thiazoles
Alternative Parents
Chlorobenzenes Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3.
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
ethyl 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate
INCHI
InChI=1S/C13H12ClNO2S/c1-2-17-12(16)7-11-8-18-13(15-11)9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3
InChIKey
VTDNBASRFGRNAV-UHFFFAOYSA-N
Smiles
CCOC(=O)CC1=CSC(=N1)C2=CC=C(C=C2)Cl
Isomeric SMILES
CCOC(=O)CC1=CSC(=N1)C2=CC=C(C=C2)Cl
Molecular Weight
281.8
Reaxy-Rn
994353
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=994353&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
281.760 g/mol
XLogP3
3.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
281.028 Da
Monoisotopic Mass
281.028 Da
Topological Polar Surface Area
67.400 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
282.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
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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