Cas no 1099642-47-3 (4-Bromo-2-(4-iodophenoxy)benzoic acid)
1099642-47-3 structure
Product Name:4-Bromo-2-(4-iodophenoxy)benzoic acid
CAS No:1099642-47-3
MF:C13H8BrIO3
MW:419.009295463562
CID:2118532
Update Time:2023-08-04
4-Bromo-2-(4-iodophenoxy)benzoic acid Chemical and Physical Properties
Names and Identifiers
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- 4-bromo-2-(4-iodophenoxy)Benzoic acid
- 4-Bromo-2-(4-iodophenoxy)benzoic acid
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- Inchi： 1S/C13H8BrIO3/c14-8-1-6-11(13(16)17)12(7-8)18-10-4-2-9(15)3-5-10/h1-7H,(H,16,17)
- InChI Key： CFRUQOMSEBVWEJ-UHFFFAOYSA-N
- SMILES： IC1C=CC(=CC=1)OC1C=C(C=CC=1C(=O)O)Br
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 292
- XLogP3: 4.5
- Topological Polar Surface Area: 46.5
4-Bromo-2-(4-iodophenoxy)benzoic acid Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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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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