Cas no 405517-72-8 (Phenol, 2,6-diiodo-4-(trifluoromethoxy)-)
405517-72-8 structure
Product Name:Phenol, 2,6-diiodo-4-(trifluoromethoxy)-
CAS No:405517-72-8
MF:C7H3F3I2O2
MW:429.901677370071
CID:3972415
PubChem ID:85815188
Update Time:2025-04-22
Phenol, 2,6-diiodo-4-(trifluoromethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2,6-diiodo-4-(trifluoromethoxy)-
- 405517-72-8
- 2,6-Diiodo-4-(trifluoromethoxy)phenol
-
- Inchi： 1S/C7H3F3I2O2/c8-7(9,10)14-3-1-4(11)6(13)5(12)2-3/h1-2,13H
- InChI Key： XURCTVAKGPNCON-UHFFFAOYSA-N
- SMILES： IC1C(=C(C=C(C=1)OC(F)(F)F)I)O
Computed Properties
- Exact Mass: 429.81746Da
- Monoisotopic Mass: 429.81746Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 188
- 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: 3.5
- Topological Polar Surface Area: 29.5?2
Phenol, 2,6-diiodo-4-(trifluoromethoxy)- Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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