Cas no 1806290-07-2 (2,4-Difluoro-5-nitrophenylacetonitrile)
1806290-07-2 structure
Product Name:2,4-Difluoro-5-nitrophenylacetonitrile
CAS No:1806290-07-2
MF:C8H4F2N2O2
MW:198.126368522644
CID:4707196
Update Time:2023-08-15
2,4-Difluoro-5-nitrophenylacetonitrile Chemical and Physical Properties
Names and Identifiers
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- 2,4-Difluoro-5-nitrophenylacetonitrile
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- Inchi： 1S/C8H4F2N2O2/c9-6-4-7(10)8(12(13)14)3-5(6)1-2-11/h3-4H,1H2
- InChI Key： GGNNXNWDAXRDQO-UHFFFAOYSA-N
- SMILES： FC1=CC(=C(C=C1CC#N)[N+](=O)[O-])F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 270
- Topological Polar Surface Area: 69.6
2,4-Difluoro-5-nitrophenylacetonitrile Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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