Cas no 197364-67-3 (2-Benzothiazolecarboxylicacid, 6-fluoro-, methyl ester)
197364-67-3 structure
Product Name:2-Benzothiazolecarboxylicacid, 6-fluoro-, methyl ester
CAS No:197364-67-3
MF:C9H6FNO2S
MW:211.212844371796
CID:117118
PubChem ID:45077169
Update Time:2025-04-18
2-Benzothiazolecarboxylicacid, 6-fluoro-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzothiazolecarboxylicacid, 6-fluoro-, methyl ester
- methyl 6-fluoro-1,3-benzothiazole-2-carboxylate
- 2-Benzothiazolecarboxylicacid,6-fluoro-,methylester(9CI)
- Methyl (6-fluorobenzothiazol-2-yl)formate
- 197364-67-3
- 2-benzothiazolecarboxylic acid,6-fluoro-,methyl ester
- UGFSVUAYIZSEPG-UHFFFAOYSA-N
- SCHEMBL25219141
-
- Inchi： 1S/C9H6FNO2S/c1-13-9(12)8-11-6-3-2-5(10)4-7(6)14-8/h2-4H,1H3
- InChI Key： UGFSVUAYIZSEPG-UHFFFAOYSA-N
- SMILES： S1C(C(=O)OC)=NC2C=CC(=CC1=2)F
Computed Properties
- Exact Mass: 211.01038
- Monoisotopic Mass: 211.01
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 239
- 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: 2.7
Experimental Properties
- PSA: 39.19
2-Benzothiazolecarboxylicacid, 6-fluoro-, methyl ester Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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