Cas no 1804517-53-0 (2,4-Difluoro-6-nitrophenylacetonitrile)
1804517-53-0 structure
Product Name:2,4-Difluoro-6-nitrophenylacetonitrile
CAS No:1804517-53-0
MF:C8H4F2N2O2
MW:198.126368522644
CID:4706389
Update Time:2023-08-15
2,4-Difluoro-6-nitrophenylacetonitrile Chemical and Physical Properties
Names and Identifiers
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- 2,4-Difluoro-6-nitrophenylacetonitrile
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- Inchi： 1S/C8H4F2N2O2/c9-5-3-7(10)6(1-2-11)8(4-5)12(13)14/h3-4H,1H2
- InChI Key： BIUIEJHTLXAVOA-UHFFFAOYSA-N
- SMILES： FC1=CC(=CC(=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-6-nitrophenylacetonitrile Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
1804517-53-0 (2,4-Difluoro-6-nitrophenylacetonitrile) Related Products
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