Cas no 1214362-96-5 (Ethyl 2,6-dichloro-4-fluorobenzoate)
1214362-96-5 structure
Product Name:Ethyl 2,6-dichloro-4-fluorobenzoate
CAS No:1214362-96-5
MF:C9H7Cl2FO2
MW:237.055084466934
CID:2176169
Update Time:2023-08-05
Ethyl 2,6-dichloro-4-fluorobenzoate Chemical and Physical Properties
Names and Identifiers
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- Ethyl2,6-dichloro-4-fluorobenzoate
- Ethyl 2,6-dichloro-4-fluorobenzoate
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- Inchi： 1S/C9H7Cl2FO2/c1-2-14-9(13)8-6(10)3-5(12)4-7(8)11/h3-4H,2H2,1H3
- InChI Key： HFVPHKDXMHFWOJ-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=C(C=1C(=O)OCC)Cl)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 201
- Topological Polar Surface Area: 26.3
Ethyl 2,6-dichloro-4-fluorobenzoate Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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