Cas no 1269117-91-0 (5-Pyrimidinecarboxylic acid, 4,6-dichloro-2-methyl-, ethyl ester)
1269117-91-0 structure
Product Name:5-Pyrimidinecarboxylic acid, 4,6-dichloro-2-methyl-, ethyl ester
CAS No:1269117-91-0
MF:C8H8Cl2N2O2
MW:235.067319869995
CID:2179642
Update Time:2023-11-19
5-Pyrimidinecarboxylic acid, 4,6-dichloro-2-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 4,6-dichloro-2-methylpyrimidine-5-carboxylate
- CID 23559551
- 5-Pyrimidinecarboxylic acid, 4,6-dichloro-2-methyl-, ethyl ester
-
- Inchi： 1S/C8H8Cl2N2O2/c1-3-14-8(13)5-6(9)11-4(2)12-7(5)10/h3H2,1-2H3
- InChI Key： ZEKCAYOAUKUBFS-UHFFFAOYSA-N
- SMILES： ClC1C(=C(N=C(C)N=1)Cl)C(=O)OCC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 204
- Topological Polar Surface Area: 52.1
Experimental Properties
- Density: 1.379±0.06 g/cm3(Predicted)
- Boiling Point: 309.7±37.0 °C(Predicted)
- pka: -5.47±0.39(Predicted)
5-Pyrimidinecarboxylic acid, 4,6-dichloro-2-methyl-, ethyl ester Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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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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