Cas no 182344-59-8 (2-Chloro-4-(trifluoromethoxy)-1,3-benzothiazole)
182344-59-8 structure
Product Name:2-Chloro-4-(trifluoromethoxy)-1,3-benzothiazole
CAS No:182344-59-8
MF:C8H3ClF3NOS
MW:253.62873005867
CID:907029
Update Time:2023-08-02
2-Chloro-4-(trifluoromethoxy)-1,3-benzothiazole Chemical and Physical Properties
Names and Identifiers
-
- 2-chloro-4-(trifluoromethoxy)-1,3-benzothiazole
- 2-CHLORO-4-(TRIFLUOROMETHOXY)BENZOTHIAZOLE
- DHEGEWYVQIDSRY-UHFFFAOYSA-N
- 2-chloro-4-trifluoromethoxybenzothiazole
- Benzothiazole, 2-chloro-4-(trifluoromethoxy)-
- 2-Chloro-4-(trifluoromethoxy)-1,3-benzothiazole
-
- Inchi： 1S/C8H3ClF3NOS/c9-7-13-6-4(14-8(10,11)12)2-1-3-5(6)15-7/h1-3H
- InChI Key： DHEGEWYVQIDSRY-UHFFFAOYSA-N
- SMILES： ClC1=NC2C(=CC=CC=2S1)OC(F)(F)F
Computed Properties
- Exact Mass: 252.958
- Monoisotopic Mass: 252.958
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 240
- 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
- Topological Polar Surface Area: 50.4
2-Chloro-4-(trifluoromethoxy)-1,3-benzothiazole Related Literature
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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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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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