Cas no 131727-26-9 (1H-Pyrazole, 1-(2-chloroethyl)-4-iodo-)
131727-26-9 structure
Product Name:1H-Pyrazole, 1-(2-chloroethyl)-4-iodo-
CAS No:131727-26-9
MF:C5H6ClIN2
MW:256.472012042999
CID:3707667
PubChem ID:22064205
Update Time:2025-04-22
1H-Pyrazole, 1-(2-chloroethyl)-4-iodo- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 1-(2-chloroethyl)-4-iodo-
- AWACTBIAMFXSIT-UHFFFAOYSA-N
- AKOS013754623
- 2-(4-iodo-1H-pyrazol-1-yl)ethyl chloride
- 131727-26-9
- 1-(2-chloroethyl)-4-iodo-1H-pyrazole
- DB-146378
- SCHEMBL5901788
-
- Inchi： 1S/C5H6ClIN2/c6-1-2-9-4-5(7)3-8-9/h3-4H,1-2H2
- InChI Key： AWACTBIAMFXSIT-UHFFFAOYSA-N
- SMILES： IC1C=NN(C=1)CCCl
Computed Properties
- Exact Mass: 255.92642Da
- Monoisotopic Mass: 255.92642Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 91
- 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: 1.4
- Topological Polar Surface Area: 17.8?2
1H-Pyrazole, 1-(2-chloroethyl)-4-iodo- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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