Cas no 287109-71-1 (2-Benzothiazolecarboxylicacid, 6-fluoro-, ethyl ester)
287109-71-1 structure
Product Name:2-Benzothiazolecarboxylicacid, 6-fluoro-, ethyl ester
CAS No:287109-71-1
MF:C10H8FNO2S
MW:225.239424705505
CID:248687
PubChem ID:22610083
Update Time:2025-04-19
2-Benzothiazolecarboxylicacid, 6-fluoro-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzothiazolecarboxylicacid, 6-fluoro-, ethyl ester
- 2-Benzothiazolecarboxylicacid,6-fluoro-,ethylester(9CI)
- SCHEMBL6656001
- DCAANBLHKURDGS-UHFFFAOYSA-N
- AKOS017561209
- 287109-71-1
- ethyl 6-fluoro-1,3-benzothiazole-2-carboxylate
-
- Inchi： 1S/C10H8FNO2S/c1-2-14-10(13)9-12-7-4-3-6(11)5-8(7)15-9/h3-5H,2H2,1H3
- InChI Key： DCAANBLHKURDGS-UHFFFAOYSA-N
- SMILES： S1C(C(=O)OCC)=NC2C=CC(=CC1=2)F
Computed Properties
- Exact Mass: 225.02600
- Monoisotopic Mass: 225.026
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 252
- 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: 67.4A^2
- XLogP3: 3
Experimental Properties
- PSA: 67.43000
- LogP: 2.61210
2-Benzothiazolecarboxylicacid, 6-fluoro-, ethyl ester Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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