Cas no 38636-12-3 (Benzene,1-fluoro-5-iodo-2,4-dinitro-)
38636-12-3 structure
Product Name:Benzene,1-fluoro-5-iodo-2,4-dinitro-
CAS No:38636-12-3
MF:C6H2FIN2O4
MW:311.993957042694
CID:313407
PubChem ID:223082
Update Time:2025-04-19
Benzene,1-fluoro-5-iodo-2,4-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-fluoro-5-iodo-2,4-dinitro-
- 1-fluoro-5-iodo-2,4-dinitro-Benzene
- 1-Fluor-2-cyan-naphthalin
- 1-Fluor-3-cyanonaphthalin
- 1-Fluor-3-iod-4,6-dinitrobenzol
- 2-Cyan-1-fluor-naphthalin
- 2-Cyano-1-fluoronaphthalene
- 5-Iod-2,4-dinitrofluorbenzol
- 5-iodo-2,4-dinitrofluorobenzene
- NSC10245
- DTXSID90959477
- 38636-12-3
- 1-fluoro-5-iodo-2,4-dinitrobenzene
- NSC-10245
-
- Inchi： 1S/C6H2FIN2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H
- InChI Key： JSQGTCFSWCYXOW-UHFFFAOYSA-N
- SMILES： IC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F
Computed Properties
- Exact Mass: 311.90386
- Monoisotopic Mass: 311.90433g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 253
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 91.6?2
Experimental Properties
- PSA: 86.28
- LogP: 3.29310
Benzene,1-fluoro-5-iodo-2,4-dinitro- Related Literature
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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