Cas no 1246466-93-2 (5,6-Bis-trifluoromethyl-nicotinonitrile)
1246466-93-2 structure
Product Name:5,6-Bis-trifluoromethyl-nicotinonitrile
CAS No:1246466-93-2
MF:C8H2F6N2
MW:240.105302333832
CID:2619304
PubChem ID:75406279
Update Time:2025-04-21
5,6-Bis-trifluoromethyl-nicotinonitrile Chemical and Physical Properties
Names and Identifiers
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- AKOS017344433
- 1246466-93-2
- 5,6-bis-trifluoromethyl-nicotinonitrile
- 5,6-Bis-trifluoromethyl-nicotinonitrile
-
- Inchi： 1S/C8H2F6N2/c9-7(10,11)5-1-4(2-15)3-16-6(5)8(12,13)14/h1,3H
- InChI Key： KRZNKRNKAVZCFK-UHFFFAOYSA-N
- SMILES： FC(C1=CC(C#N)=CN=C1C(F)(F)F)(F)F
Computed Properties
- Exact Mass: 240.01221704Da
- Monoisotopic Mass: 240.01221704Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 298
- 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: 2.4
- Topological Polar Surface Area: 36.7?2
5,6-Bis-trifluoromethyl-nicotinonitrile Related Literature
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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