Cas no 1214346-19-6 (Ethyl 2-bromo-3-(trifluoromethyl)benzoate)
1214346-19-6 structure
Product Name:Ethyl 2-bromo-3-(trifluoromethyl)benzoate
CAS No:1214346-19-6
MF:C10H8BrF3O2
MW:297.068532943726
CID:4686216
Update Time:2023-08-15
Ethyl 2-bromo-3-(trifluoromethyl)benzoate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 2-bromo-3-(trifluoromethyl)benzoate
- BENZOIC ACID, 2-BROMO-3-(TRIFLUOROMETHYL)-, ETHYL ESTER
- Ethyl 2-bromo-3-(trifluoromethyl)benzoate
-
- Inchi： 1S/C10H8BrF3O2/c1-2-16-9(15)6-4-3-5-7(8(6)11)10(12,13)14/h3-5H,2H2,1H3
- InChI Key： DQUIQGHLJQSRBP-UHFFFAOYSA-N
- SMILES： BrC1C(C(=O)OCC)=CC=CC=1C(F)(F)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 255
- Topological Polar Surface Area: 26.3
Ethyl 2-bromo-3-(trifluoromethyl)benzoate Related Literature
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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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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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