Cas no 1012879-80-9 (Ethyl 2-tert-butyl-4-(trifluoromethyl)pyrimidine-5-carboxylate)
1012879-80-9 structure
Product Name:Ethyl 2-tert-butyl-4-(trifluoromethyl)pyrimidine-5-carboxylate
CAS No:1012879-80-9
MF:C12H15F3N2O2
MW:276.254913568497
CID:2108809
Update Time:2023-08-04
Ethyl 2-tert-butyl-4-(trifluoromethyl)pyrimidine-5-carboxylate Chemical and Physical Properties
Names and Identifiers
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- ethyl 2-tert-butyl-4-(trifluoromethyl)pyrimidine-5-carboxylate
- Ethyl 2-tert-butyl-4-(trifluoromethyl)pyrimidine-5-carboxylate
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- Inchi： 1S/C12H15F3N2O2/c1-5-19-9(18)7-6-16-10(11(2,3)4)17-8(7)12(13,14)15/h6H,5H2,1-4H3
- InChI Key： GUALCQXRVUCKLI-UHFFFAOYSA-N
- SMILES： FC(C1=C(C(=O)OCC)C=NC(C(C)(C)C)=N1)(F)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 326
- Topological Polar Surface Area: 52.1
Ethyl 2-tert-butyl-4-(trifluoromethyl)pyrimidine-5-carboxylate Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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