Cas no 823234-82-8 (5-Thiazolecarboxylicacid, 4-(difluoromethyl)-2-methyl-, ethyl ester)
823234-82-8 structure
Product Name:5-Thiazolecarboxylicacid, 4-(difluoromethyl)-2-methyl-, ethyl ester
CAS No:823234-82-8
MF:C8H9F2NO2S
MW:221.224367856979
CID:715829
PubChem ID:45097689
Update Time:2025-04-19
5-Thiazolecarboxylicacid, 4-(difluoromethyl)-2-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Thiazolecarboxylicacid, 4-(difluoromethyl)-2-methyl-, ethyl ester
- 5-Thiazolecarboxylicacid,4-(difluoromethyl)-2-methyl-,ethylester(9CI)
- AKOS027417243
- Ethyl 4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxylate
- 823234-82-8
- F2147-8282
-
- Inchi： 1S/C8H9F2NO2S/c1-3-13-8(12)6-5(7(9)10)11-4(2)14-6/h7H,3H2,1-2H3
- InChI Key： JQLVORUSBFLCMU-UHFFFAOYSA-N
- SMILES： S1C(C)=NC(C(F)F)=C1C(=O)OCC
Computed Properties
- Exact Mass: 221.032
- Monoisotopic Mass: 221.032
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 216
- 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: 2.6
5-Thiazolecarboxylicacid, 4-(difluoromethyl)-2-methyl-, ethyl ester Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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