Cas no 637352-98-8 (4-Chloro-6-(4-chlorophenyl)-5-methylpyrimidine)
637352-98-8 structure
Product Name:4-Chloro-6-(4-chlorophenyl)-5-methylpyrimidine
CAS No:637352-98-8
MF:C11H8Cl2N2
MW:239.100620269775
CID:2190569
PubChem ID:18448404
Update Time:2025-04-21
4-Chloro-6-(4-chlorophenyl)-5-methylpyrimidine Chemical and Physical Properties
Names and Identifiers
-
- 4-Chloro-6-(4-chlorophenyl)-5-methylpyrimidine
- 637352-98-8
- SCHEMBL5648158
- AKOS014986185
- YTHKHTLLTQHLNM-UHFFFAOYSA-N
- F1911-3003
- DA-39594
-
- Inchi： 1S/C11H8Cl2N2/c1-7-10(14-6-15-11(7)13)8-2-4-9(12)5-3-8/h2-6H,1H3
- InChI Key： YTHKHTLLTQHLNM-UHFFFAOYSA-N
- SMILES： ClC1=C(C)C(C2C=CC(=CC=2)Cl)=NC=N1
Computed Properties
- Exact Mass: 238.0064537Da
- Monoisotopic Mass: 238.0064537Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 205
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 25.8?2
4-Chloro-6-(4-chlorophenyl)-5-methylpyrimidine Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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