Cas no 108106-71-4 (2,2,2-Trichloro-acetimidic acid butyl ester)
108106-71-4 structure
Product Name:2,2,2-Trichloro-acetimidic acid butyl ester
CAS No:108106-71-4
MF:C6H10Cl3NO
MW:218.508698940277
CID:2870293
Update Time:2023-08-10
2,2,2-Trichloro-acetimidic acid butyl ester Chemical and Physical Properties
Names and Identifiers
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- butyltrichloroacetimidate
- 2,2,2-trichloro-acetimidic acid butyl ester
- butyl 2,2,2-trichloroacetimidate
- 2,2,2-Trichloro-acetimidic acid butyl ester
-
- Inchi： 1S/C6H10Cl3NO/c1-2-3-4-11-5(10)6(7,8)9/h10H,2-4H2,1H3
- InChI Key： USDRYHARUQLRHD-UHFFFAOYSA-N
- SMILES： ClC(C(=N)OCCCC)(Cl)Cl
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 132
- XLogP3: 3.3
- Topological Polar Surface Area: 33.1
2,2,2-Trichloro-acetimidic acid butyl ester Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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