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2,4-dichloro-5-(4-methoxyphenyl)pyrimidine - 97%, high purity , CAS No.1523618-07-6
Discover 2,4-dichloro-5-(4-methoxyphenyl)pyrimidine by Aladdin Scientific in 97% for only $2,102.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2,4-dichloro-5-(4-methoxyphenyl)pyrimidine | 1523618-07-6 | SCHEMBL9044636 | DTXSID801253684 | YKC61807 | MFCD18074215 | AKOS025289529 | SB11411 | AS-33960 | SY321090 | CS-0052168 | Pyrimidine, 2,4-dichloro-5-(4-methoxyphenyl)- | A883924
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
Not available
Direct Parent
Phenylpyrimidines
Alternative Parents
Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 2-halopyrimidines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Ether - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
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
2,4-dichloro-5-(4-methoxyphenyl)pyrimidine
INCHI
InChI=1S/C11H8Cl2N2O/c1-16-8-4-2-7(3-5-8)9-6-14-11(13)15-10(9)12/h2-6H,1H3
InChIKey
HIFPSJNJLGNUIS-UHFFFAOYSA-N
Smiles
COC1=CC=C(C=C1)C2=CN=C(N=C2Cl)Cl
Isomeric SMILES
COC1=CC=C(C=C1)C2=CN=C(N=C2Cl)Cl
PubChem CID
19735441
Molecular Weight
255.1
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
255.100 g/mol
XLogP3
3.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
254.001 Da
Monoisotopic Mass
254.001 Da
Topological Polar Surface Area
35.000 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
222.000
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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