Cas no 1263062-25-4 (2-(3-Bromophenyl)-6-chloro-4-Pyrimidinecarboxylic acid ethyl ester)
1263062-25-4 structure
Product Name:2-(3-Bromophenyl)-6-chloro-4-Pyrimidinecarboxylic acid ethyl ester
CAS No:1263062-25-4
MF:C13H10BrClN2O2
MW:341.587701320648
CID:2128935
Update Time:2023-08-03
2-(3-Bromophenyl)-6-chloro-4-Pyrimidinecarboxylic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 2-(3-bromophenyl)-6-chloro-4-Pyrimidinecarboxylic acid ethyl ester
- 2-(3-Bromophenyl)-6-chloro-4-Pyrimidinecarboxylic acid ethyl ester
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- Inchi： 1S/C13H10BrClN2O2/c1-2-19-13(18)10-7-11(15)17-12(16-10)8-4-3-5-9(14)6-8/h3-7H,2H2,1H3
- InChI Key： QHIGRMJKKRBDJI-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(=C1)C1N=C(C=C(C(=O)OCC)N=1)Cl
Computed Properties
- Exact Mass: 339.961
- Monoisotopic Mass: 339.961
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 319
- 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
- Topological Polar Surface Area: 52.1
2-(3-Bromophenyl)-6-chloro-4-Pyrimidinecarboxylic acid ethyl ester Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
1263062-25-4 (2-(3-Bromophenyl)-6-chloro-4-Pyrimidinecarboxylic acid ethyl ester) Related Products
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