Cas no 847956-10-9 (2-THIAZOLECARBOXYLIC ACID, 4-(PENTAFLUOROETHYL)-)
847956-10-9 structure
Product Name:2-THIAZOLECARBOXYLIC ACID, 4-(PENTAFLUOROETHYL)-
CAS No:847956-10-9
MF:C6H2F5NO2S
MW:247.142597675323
CID:3278237
PubChem ID:21075100
Update Time:2025-04-21
2-THIAZOLECARBOXYLIC ACID, 4-(PENTAFLUOROETHYL)- Chemical and Physical Properties
Names and Identifiers
-
- 2-THIAZOLECARBOXYLIC ACID, 4-(PENTAFLUOROETHYL)-
- 2-Thiazolecarboxylic acid, 4-(1,1,2,2,2-pentafluoroethyl)-
- 4-(perfluoroethyl)thiazole-2-carboxylic acid
- HFZVBAWUNORZII-UHFFFAOYSA-N
- SCHEMBL3746905
- 847956-10-9
-
- Inchi： 1S/C6H2F5NO2S/c7-5(8,6(9,10)11)2-1-15-3(12-2)4(13)14/h1H,(H,13,14)
- InChI Key： HFZVBAWUNORZII-UHFFFAOYSA-N
- SMILES： S1C=C(C(F)(F)C(F)(F)F)N=C1C(O)=O
Computed Properties
- Exact Mass: 246.97264029Da
- Monoisotopic Mass: 246.97264029Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 269
- 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: 2.4
- Topological Polar Surface Area: 78.4?2
2-THIAZOLECARBOXYLIC ACID, 4-(PENTAFLUOROETHYL)- Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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