Cas no 2170501-97-8 (5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine)
2170501-97-8 structure
Product Name:5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine
CAS No:2170501-97-8
MF:C13H17BF3NO2
MW:287.085794210434
CID:6815428
PubChem ID:133662160
Update Time:2025-03-21
5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine Chemical and Physical Properties
Names and Identifiers
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- XKHXSRJQCMAADT-UHFFFAOYSA-N
- 2170501-97-8
- CS-33067
- 5-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine
- 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine
-
- Inchi： 1S/C13H17BF3NO2/c1-8-7-18-10(13(15,16)17)6-9(8)14-19-11(2,3)12(4,5)20-14/h6-7H,1-5H3
- InChI Key： XKHXSRJQCMAADT-UHFFFAOYSA-N
- SMILES： FC(C1C=C(B2OC(C)(C)C(C)(C)O2)C(C)=CN=1)(F)F
Computed Properties
- Exact Mass: 287.1304434Da
- Monoisotopic Mass: 287.1304434Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 357
- 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
- Topological Polar Surface Area: 31.4?2
5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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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