Cas no 1006486-11-8 (2-(2,2,2-Trifluoro-ethyl)-2H-pyrazole-3-carboxylic acid ethyl ester)
1006486-11-8 structure
Product Name:2-(2,2,2-Trifluoro-ethyl)-2H-pyrazole-3-carboxylic acid ethyl ester
CAS No:1006486-11-8
MF:C8H9F3N2O2
MW:222.164472341537
CID:3060279
PubChem ID:19622698
Update Time:2025-04-21
2-(2,2,2-Trifluoro-ethyl)-2H-pyrazole-3-carboxylic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-(2,2,2-Trifluoro-ethyl)-2H-pyrazole-3-carboxylic acid ethyl ester
- AKOS000313621
- ethyl1-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxylate
- STK351188
- ethyl 1-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxylate
- 1006486-11-8
- WYAGUTATJFIBBM-UHFFFAOYSA-N
-
- Inchi： 1S/C8H9F3N2O2/c1-2-15-7(14)6-3-4-12-13(6)5-8(9,10)11/h3-4H,2,5H2,1H3
- InChI Key： WYAGUTATJFIBBM-UHFFFAOYSA-N
- SMILES： FC(CN1C(C(=O)OCC)=CC=N1)(F)F
Computed Properties
- Exact Mass: 222.061612g/mol
- Monoisotopic Mass: 222.061612g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 232
- 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
- Molecular Weight: 222.16g/mol
- XLogP3: 1.8
- Topological Polar Surface Area: 44.1?2
2-(2,2,2-Trifluoro-ethyl)-2H-pyrazole-3-carboxylic acid ethyl ester Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
1006486-11-8 (2-(2,2,2-Trifluoro-ethyl)-2H-pyrazole-3-carboxylic acid ethyl ester) Related Products
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- 16034-46-1(1-Methyl-1H-pyrazole-5-carboxylic acid)
- 133261-07-1(1-Methyl-3-propyl-1H-pyrazole-5-carboxylic Acid Ethyl Ester)
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- 25016-20-0(1-Methyl-1H-pyrazole-3-carboxylic acid)
- 5744-40-1(Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate)
- 5932-27-4(Ethyl pyrazole-3-carboxylate)
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