Cas no 647855-20-7 (Benzene, 4-iodo-1-methoxy-2-(trifluoromethoxy)-)
647855-20-7 structure
Product Name:Benzene, 4-iodo-1-methoxy-2-(trifluoromethoxy)-
CAS No:647855-20-7
MF:C8H6F3IO2
MW:318.031725406647
CID:416104
PubChem ID:68685486
Update Time:2025-04-19
Benzene, 4-iodo-1-methoxy-2-(trifluoromethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 4-iodo-1-methoxy-2-(trifluoromethoxy)-
- 4-iodo-1-methoxy-2-(trifluoromethoxy)benzene
- KQGAFAFOWOZSAD-UHFFFAOYSA-N
- DTXSID10738807
- 647855-20-7
- SCHEMBL3548000
-
- Inchi： 1S/C8H6F3IO2/c1-13-6-3-2-5(12)4-7(6)14-8(9,10)11/h2-4H,1H3
- InChI Key： KQGAFAFOWOZSAD-UHFFFAOYSA-N
- SMILES： IC1C=CC(=C(C=1)OC(F)(F)F)OC
Computed Properties
- Exact Mass: 317.93598
- Monoisotopic Mass: 317.93646g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 186
- 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: 3.4
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
Benzene, 4-iodo-1-methoxy-2-(trifluoromethoxy)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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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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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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