Cas no 937639-96-8 (4-(tert-Butyl)-2-chloro-6-(trifluoromethyl)pyrimidine)
937639-96-8 structure
Product Name:4-(tert-Butyl)-2-chloro-6-(trifluoromethyl)pyrimidine
CAS No:937639-96-8
MF:C9H10ClF3N2
MW:238.637311458588
CID:1088543
PubChem ID:43829346
Update Time:2025-04-20
4-(tert-Butyl)-2-chloro-6-(trifluoromethyl)pyrimidine Chemical and Physical Properties
Names and Identifiers
-
- 4-(tert-Butyl)-2-chloro-6-(trifluoromethyl)pyrimidine
- 4-tert-butyl-2-chloro-6-(trifluoromethyl)pyrimidine
- AKOS000320333
- CS-0117808
- 937639-96-8
-
- Inchi： 1S/C9H10ClF3N2/c1-8(2,3)5-4-6(9(11,12)13)15-7(10)14-5/h4H,1-3H3
- InChI Key： WCGXUAZJEXAGSH-UHFFFAOYSA-N
- SMILES： ClC1=NC(C(F)(F)F)=CC(C(C)(C)C)=N1
Computed Properties
- Exact Mass: 238.0484605g/mol
- Monoisotopic Mass: 238.0484605g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 224
- 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: 3.8
- Topological Polar Surface Area: 25.8?2
4-(tert-Butyl)-2-chloro-6-(trifluoromethyl)pyrimidine Related Literature
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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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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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