Cas no 2386041-92-3 (3-Fluoro-7-iodoisoquinoline)
3-Fluoro-7-iodoisoquinoline structure
Product Name:3-Fluoro-7-iodoisoquinoline
CAS No:2386041-92-3
MF:C9H5FIN
MW:273.045577764511
CID:5716300
PubChem ID:131700054
Update Time:2023-10-15
3-Fluoro-7-iodoisoquinoline Chemical and Physical Properties
Names and Identifiers
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- 2386041-92-3
- 3-Fluoro-7-iodoisoquinoline
- Isoquinoline, 3-fluoro-7-iodo-
-
- Inchi： 1S/C9H5FIN/c10-9-4-6-1-2-8(11)3-7(6)5-12-9/h1-5H
- InChI Key： BIXIWEZINQRPPY-UHFFFAOYSA-N
- SMILES： IC1C=CC2C=C(N=CC=2C=1)F
Computed Properties
- Exact Mass: 272.94507g/mol
- Monoisotopic Mass: 272.94507g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 165
- 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: 3.2
- Topological Polar Surface Area: 12.9?2
Experimental Properties
- Density: 1.908±0.06 g/cm3(Predicted)
- Boiling Point: 350.5±22.0 °C(Predicted)
- pka: 0.87±0.33(Predicted)
3-Fluoro-7-iodoisoquinoline Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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