Cas no 219664-16-1 (Ethyl 1-(2-fluoro-4-nitrophenyl)pyrazole-4-carboxylate)
219664-16-1 structure
Product Name:Ethyl 1-(2-fluoro-4-nitrophenyl)pyrazole-4-carboxylate
CAS No:219664-16-1
MF:C12H10FN3O4
MW:279.223906040192
CID:2153830
Update Time:2023-08-05
Ethyl 1-(2-fluoro-4-nitrophenyl)pyrazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
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- ethyl 1-(2-fluoro-4-nitro-phenyl)-1H-pyrazole-4-carboxylate
- ethyl 1-(2-fluoro-4-nitrophenyl)pyrazole-4-carboxylate
- 3-fluoro-1-nitro-4-(1H-4-carbethoxypyrazol-1-yl)benzene
- QPCRCMNRUZLJRG-UHFFFAOYSA-N
- ETHYL-1-(2-FLUORO-4-NITRO-PHENYL)-PYRAZOLE-4-CARBOXYLATE
- Ethyl 1-(2-fluoro-4-nitrophenyl)pyrazole-4-carboxylate
-
- Inchi： 1S/C12H10FN3O4/c1-2-20-12(17)8-6-14-15(7-8)11-4-3-9(16(18)19)5-10(11)13/h3-7H,2H2,1H3
- InChI Key： QPCRCMNRUZLJRG-UHFFFAOYSA-N
- SMILES： FC1C=C(C=CC=1N1C=C(C(=O)OCC)C=N1)[N+](=O)[O-]
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 376
- Topological Polar Surface Area: 89.9
Ethyl 1-(2-fluoro-4-nitrophenyl)pyrazole-4-carboxylate Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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