Cas no 124311-20-2 (Phenol, 3-ethyl-2,4,6-triiodo-)
124311-20-2 structure
Product Name:Phenol, 3-ethyl-2,4,6-triiodo-
CAS No:124311-20-2
MF:C8H7I3O
MW:499.853999376297
CID:2760391
PubChem ID:10195916
Update Time:2025-04-21
Phenol, 3-ethyl-2,4,6-triiodo- Chemical and Physical Properties
Names and Identifiers
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- DTXSID20436569
- 124311-20-2
- SCHEMBL7926662
- Phenol, 3-ethyl-2,4,6-triiodo-
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- Inchi： 1S/C8H7I3O/c1-2-4-5(9)3-6(10)8(12)7(4)11/h3,12H,2H2,1H3
- InChI Key： LGECDBRPRCZUNH-UHFFFAOYSA-N
- SMILES： IC1C(=C(C=C(C=1CC)I)I)O
Computed Properties
- Exact Mass: 499.7631Da
- Monoisotopic Mass: 499.7631Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 153
- 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: 4.3
- Topological Polar Surface Area: 20.2?2
Phenol, 3-ethyl-2,4,6-triiodo- 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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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