Cas no 1417567-72-6 (Methyl 3,5-difluoro-4-(trifluoromethyl)benzoate)
1417567-72-6 structure
Product Name:Methyl 3,5-difluoro-4-(trifluoromethyl)benzoate
CAS No:1417567-72-6
MF:C9H5F5O2
MW:240.126820325851
CID:4699228
Update Time:2023-08-15
Methyl 3,5-difluoro-4-(trifluoromethyl)benzoate Chemical and Physical Properties
Names and Identifiers
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- Methyl 3,5-difluoro-4-(trifluoromethyl)benzoate
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- Inchi： 1S/C9H5F5O2/c1-16-8(15)4-2-5(10)7(6(11)3-4)9(12,13)14/h2-3H,1H3
- InChI Key： GWVNQRONCYSVLD-UHFFFAOYSA-N
- SMILES： FC1C=C(C(=O)OC)C=C(C=1C(F)(F)F)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 253
- Topological Polar Surface Area: 26.3
Methyl 3,5-difluoro-4-(trifluoromethyl)benzoate Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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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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