Cas no 92638-07-8 (4-Pyrimidinecarboxylic acid, 2,6-dichloro-, 1-methylethyl ester)
92638-07-8 structure
Product Name:4-Pyrimidinecarboxylic acid, 2,6-dichloro-, 1-methylethyl ester
CAS No:92638-07-8
MF:C8H8Cl2N2O2
MW:235.067319869995
CID:2815575
Update Time:2023-08-07
4-Pyrimidinecarboxylic acid, 2,6-dichloro-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- isopropyl 2,6-dichloropyrimidine-4-carboxylate
- 4-Pyrimidinecarboxylic acid, 2,6-dichloro-, 1-methylethyl ester
- Propan-2-yl 2,6-dichloropyrimidine-4-carboxylate
-
- Inchi： 1S/C8H8Cl2N2O2/c1-4(2)14-7(13)5-3-6(9)12-8(10)11-5/h3-4H,1-2H3
- InChI Key： LTSFAKXUXAKDJX-UHFFFAOYSA-N
- SMILES： ClC1=CC(C(=O)OC(C)C)=NC(=N1)Cl
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 214
- XLogP3: 3.1
- Topological Polar Surface Area: 52.1
4-Pyrimidinecarboxylic acid, 2,6-dichloro-, 1-methylethyl ester Related Literature
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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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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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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