Cas no 1806313-89-2 (Methyl 4,5-difluoro-2-nitrophenylacetate)
1806313-89-2 structure
Product Name:Methyl 4,5-difluoro-2-nitrophenylacetate
CAS No:1806313-89-2
MF:C9H7F2NO4
MW:231.152989625931
CID:4707360
Update Time:2023-08-15
Methyl 4,5-difluoro-2-nitrophenylacetate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 4,5-difluoro-2-nitrophenylacetate
- methyl 2-(4,5-difluoro-2-nitrophenyl)acetate
-
- Inchi： 1S/C9H7F2NO4/c1-16-9(13)3-5-2-6(10)7(11)4-8(5)12(14)15/h2,4H,3H2,1H3
- InChI Key： IHEAFDFRXCJRCU-UHFFFAOYSA-N
- SMILES： FC1C(=CC(=C(C=1)CC(=O)OC)[N+](=O)[O-])F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 281
- Topological Polar Surface Area: 72.1
Methyl 4,5-difluoro-2-nitrophenylacetate Related Literature
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Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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