Cas no 68987-79-1 (Ethyl 3-(2,2,2-trifluoroacetyl)benzoate)
68987-79-1 structure
Product Name:Ethyl 3-(2,2,2-trifluoroacetyl)benzoate
CAS No:68987-79-1
MF:C11H9F3O3
MW:246.182574033737
CID:972821
Update Time:2023-08-02
Ethyl 3-(2,2,2-trifluoroacetyl)benzoate Chemical and Physical Properties
Names and Identifiers
-
- acrylated aliphatic urethane
- Ethyl 3-(2,2,2-trifluoroacetyl)benzoate
- 3'-Carboethoxy-2,2,2-trifluoroacetophenone
- Ethyl 3-(trifluoroacetyl)benzoate
- 2546AF
- SY025738
-
- Inchi： 1S/C11H9F3O3/c1-2-17-10(16)8-5-3-4-7(6-8)9(15)11(12,13)14/h3-6H,2H2,1H3
- InChI Key： DIDNWEUOZHFCKH-UHFFFAOYSA-N
- SMILES： FC(C(C1C=CC=C(C(=O)OCC)C=1)=O)(F)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 299
- XLogP3: 3.3
- Topological Polar Surface Area: 43.4
Ethyl 3-(2,2,2-trifluoroacetyl)benzoate Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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