Cas no 68375-88-2 (5-Chloro-1,1,2,2,3,3,4,4-octadeuteriocyclohexane)
68375-88-2 structure
Product Name:5-Chloro-1,1,2,2,3,3,4,4-octadeuteriocyclohexane
CAS No:68375-88-2
MF:C6H11Cl
MW:126.653834581375
CID:2676660
Update Time:2023-08-06
5-Chloro-1,1,2,2,3,3,4,4-octadeuteriocyclohexane Chemical and Physical Properties
Names and Identifiers
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- 1-Chloro(2,2,3,3,4,4,5,5-2H8)cyclohexane
- 5-Chloro-1,1,2,2,3,3,4,4-octadeuteriocyclohexane
-
- Inchi： 1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2/i1D2,2D2,3D2,4D2
- InChI Key： UNFUYWDGSFDHCW-SVYQBANQSA-N
- SMILES： ClC1CC([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 46.1
- XLogP3: 3
- Topological Polar Surface Area: 0
5-Chloro-1,1,2,2,3,3,4,4-octadeuteriocyclohexane Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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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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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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