Cas no 72850-72-7 (5-THIAZOLECARBOXYLIC ACID, 2-CHLORO-4-(TRIFLUOROMETHYL)-, 2-PROPYNYL ESTER)
72850-72-7 structure
Product Name:5-THIAZOLECARBOXYLIC ACID, 2-CHLORO-4-(TRIFLUOROMETHYL)-, 2-PROPYNYL ESTER
CAS No:72850-72-7
MF:C8H3ClF3NO2S
MW:269.628130197525
CID:3323264
PubChem ID:13670344
Update Time:2025-04-21
5-THIAZOLECARBOXYLIC ACID, 2-CHLORO-4-(TRIFLUOROMETHYL)-, 2-PROPYNYL ESTER Chemical and Physical Properties
Names and Identifiers
-
- 5-THIAZOLECARBOXYLIC ACID, 2-CHLORO-4-(TRIFLUOROMETHYL)-, 2-PROPYNYL ESTER
- 72850-72-7
- SCHEMBL10820999
- DTXSID501171768
- propargyl 2-chloro-4-trifluoromethyl-5-thiazolecarboxylate
- 2-Propyn-1-yl 2-chloro-4-(trifluoromethyl)-5-thiazolecarboxylate
-
- Inchi： 1S/C8H3ClF3NO2S/c1-2-3-15-6(14)4-5(8(10,11)12)13-7(9)16-4/h1H,3H2
- InChI Key： HDVKMFDQQOOWGB-UHFFFAOYSA-N
- SMILES： ClC1=NC(C(F)(F)F)=C(C(=O)OCC#C)S1
Computed Properties
- Exact Mass: 268.9525117Da
- Monoisotopic Mass: 268.9525117Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 327
- 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: 3.1
- Topological Polar Surface Area: 67.4?2
5-THIAZOLECARBOXYLIC ACID, 2-CHLORO-4-(TRIFLUOROMETHYL)-, 2-PROPYNYL ESTER Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Jason Wan Lab Chip, 2020,20, 4528-4538
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