Cas no 1214346-25-4 (Ethyl 3-bromo-2-(trifluoromethyl)benzoate)
1214346-25-4 structure
Product Name:Ethyl 3-bromo-2-(trifluoromethyl)benzoate
CAS No:1214346-25-4
MF:C10H8BrF3O2
MW:297.068532943726
CID:4686217
Update Time:2023-08-15
Ethyl 3-bromo-2-(trifluoromethyl)benzoate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 3-bromo-2-(trifluoromethyl)benzoate
- Ethyl 3-bromo-2-(trifluoromethyl)benzoate
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- Inchi： 1S/C10H8BrF3O2/c1-2-16-9(15)6-4-3-5-7(11)8(6)10(12,13)14/h3-5H,2H2,1H3
- InChI Key： SMDOXVOIEGNCLP-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(C(=O)OCC)=C1C(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 3-bromo-2-(trifluoromethyl)benzoate Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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