Cas no 1447915-00-5 (ethyl 2-(difluoromethyl)thiazole-4-carboxylate)
1447915-00-5 structure
Product Name:ethyl 2-(difluoromethyl)thiazole-4-carboxylate
CAS No:1447915-00-5
MF:C7H7F2NO2S
MW:207.19778752327
CID:2118995
Update Time:2023-11-19
ethyl 2-(difluoromethyl)thiazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 2-(difluoromethyl)thiazole-4-carboxylate
- LVWBRWIFAUOKQJ-UHFFFAOYSA-N
- CID 89690438
- 4-Thiazolecarboxylic acid, 2-(difluoromethyl)-, ethyl ester
-
- Inchi： 1S/C7H7F2NO2S/c1-2-12-7(11)4-3-13-6(10-4)5(8)9/h3,5H,2H2,1H3
- InChI Key： LVWBRWIFAUOKQJ-UHFFFAOYSA-N
- SMILES： S1C=C(C(=O)OCC)N=C1C(F)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 191
- Topological Polar Surface Area: 67.4
ethyl 2-(difluoromethyl)thiazole-4-carboxylate Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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