Cas no 140681-54-5 (1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane)
![1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane structure](https://ossimg.kuujia.com/scimg/141000/140681-54-5x500.png)
140681-54-5 structure
Product Name:1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane
CAS No:140681-54-5
MF:C7H14ClFN2
MW:180.650864124298
CID:6640991
PubChem ID:2724934
Update Time:2024-01-29
1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane Chemical and Physical Properties
Names and Identifiers
-
- 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane
- n-fluoro-n'-chloromethyltriethylenediaminebis(tetrafluoroborate)
- SCHEMBL141275
- 140681-54-5
- DTXSID401336614
- ZQGDSZPGKPJABN-UHFFFAOYSA-N
- 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane
- 1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane
-
- Inchi： 1S/C7H14ClFN2/c8-7-10-1-4-11(9,5-2-10)6-3-10/h1-7H2/q+2
- InChI Key： ZQGDSZPGKPJABN-UHFFFAOYSA-N
- SMILES： ClC[N+]12CC[N+](CC1)(CC2)F
Computed Properties
- Exact Mass: 180.0829543g/mol
- Monoisotopic Mass: 180.0829543g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 149
- 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: 1.1
- Topological Polar Surface Area: 0?2
1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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