Cas no 915376-41-9 (4-Ethyl-2-trifluoromethyl-pyrimidine-5-carboxylic acid)
915376-41-9 structure
Product Name:4-Ethyl-2-trifluoromethyl-pyrimidine-5-carboxylic acid
CAS No:915376-41-9
MF:C8H7F3N2O2
MW:220.148592233658
CID:996488
PubChem ID:53404300
Update Time:2025-04-20
4-Ethyl-2-trifluoromethyl-pyrimidine-5-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-Ethyl-2-trifluoromethyl-pyrimidine-5-carboxylic acid
- 4-ethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
- SCHEMBL14809757
- 4-Ethyl-2-trifluoromethyl-pyrimidine-5-carboxylicacid
- DTXSID00695359
- 4-ethyl-2-(trifluoromethyl)pyrimidine-5-carboxylicacid
- 915376-41-9
-
- MDL： MFCD11848031
- Inchi： 1S/C8H7F3N2O2/c1-2-5-4(6(14)15)3-12-7(13-5)8(9,10)11/h3H,2H2,1H3,(H,14,15)
- InChI Key： TXIUAZYUIYAINL-UHFFFAOYSA-N
- SMILES： FC(C1=NC=C(C(=O)O)C(CC)=N1)(F)F
Computed Properties
- Exact Mass: 220.04596196g/mol
- Monoisotopic Mass: 220.04596196g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 245
- 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: 1.5
- Topological Polar Surface Area: 63.1?2
4-Ethyl-2-trifluoromethyl-pyrimidine-5-carboxylic acid Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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