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ethyl 6-chloro-5-methylpyrimidine-4-carboxylate - 97%, high purity , CAS No.1232059-52-7
Discover ethyl 6-chloro-5-methylpyrimidine-4-carboxylate by Aladdin Scientific in 97% for only $2,919.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
ETHYL 6-CHLORO-5-METHYLPYRIMIDINE-4-CARBOXYLATE | 1232059-52-7 | MFCD17215889 | 4-Pyrimidinecarboxylic acid, 6-chloro-5-methyl-, ethyl ester | SCHEMBL2743308 | CRWGVNPMHWCPJG-UHFFFAOYSA-N | AKOS025396110 | SB13812 | AS-42866 | SY045465 | CS-0049415 | ETHYL6-CHLORO-5-METHYLPYRI
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Pyrimidinecarboxylic acids and derivatives
Direct Parent
Pyrimidinecarboxylic acids
Alternative Parents
Halopyrimidines Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidine-6-carboxylic acid - Halopyrimidine - Aryl chloride - Aryl halide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.
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 6-chloro-5-methylpyrimidine-4-carboxylate
INCHI
InChI=1S/C8H9ClN2O2/c1-3-13-8(12)6-5(2)7(9)11-4-10-6/h4H,3H2,1-2H3
InChIKey
CRWGVNPMHWCPJG-UHFFFAOYSA-N
Smiles
CCOC(=O)C1=C(C(=NC=N1)Cl)C
Isomeric SMILES
CCOC(=O)C1=C(C(=NC=N1)Cl)C
Molecular Weight
200.622
Reaxy-Rn
20501187
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20501187&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
200.620 g/mol
XLogP3
2.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
200.035 Da
Monoisotopic Mass
200.035 Da
Topological Polar Surface Area
52.100 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
189.000
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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