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2-chloro-5-ethoxypyrimidine - 97%, high purity , CAS No.82153-68-2
Basic Description
Synonyms
2-CHLORO-5-ETHOXYPYRIMIDINE | 82153-68-2 | 2-CHLORO-5-ETHOXY-PYRIMIDINE | MFCD10697651 | SCHEMBL160948 | DTXSID10574348 | QFRSOKNULFUQDS-UHFFFAOYSA-N | AKOS006305790 | PB17760 | AS-34323 | SY097735 | CS-0051956 | FT-0717610 | A864452
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Not available
Direct Parent
Alkyl aryl ethers
Alternative Parents
2-halopyrimidines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halopyrimidine - Halopyrimidine - Alkyl aryl ether - Pyrimidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is 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.
Names and Identifiers
IUPAC Name
2-chloro-5-ethoxypyrimidine
INCHI
InChI=1S/C6H7ClN2O/c1-2-10-5-3-8-6(7)9-4-5/h3-4H,2H2,1H3
InChIKey
QFRSOKNULFUQDS-UHFFFAOYSA-N
Smiles
CCOC1=CN=C(N=C1)Cl
Isomeric SMILES
CCOC1=CN=C(N=C1)Cl
Molecular Weight
158.59
Reaxy-Rn
122569
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=122569&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
158.580 g/mol
XLogP3
1.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
158.025 Da
Monoisotopic Mass
158.025 Da
Topological Polar Surface Area
35.000 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
93.700
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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