Cas no 6268-35-5 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
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- picryl-carbamic acid ethyl ester; 2-iodo-1,3,5-trinitro-benzene; ethyl N-(2,4,6-trinitrophenyl)carbamate; picryl iodide; Picryl iodide; 1-Iodo-2,4,6-trinitrobenzene; Picryl-carbamidsaeure-aethylester; T5315061; 2.4.6-Trinitro-carbanilsaeure-aethylester; CTK1D7079; NSC76678; 1-Iodo-2,6--trinitrobenzene; 2-Jod-1,3,5-trinitro-benzol; AC1L2UNA; AC1Q5AJ3; 1-iodo-2,4,6-trinitrobenzene;
- DTXSID10978286
- Ethyl hydrogen (2,4,6-trinitrophenyl)carbonimidate
- NSC-36246
- 6268-35-5
- NSC36246
-
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- Inchi： 1S/C9H8N4O8/c1-2-21-9(14)10-8-6(12(17)18)3-5(11(15)16)4-7(8)13(19)20/h3-4H,2H2,1H3,(H,10,14)
- InChI Key： KYQFMWDOPNFHDT-UHFFFAOYSA-N
- SMILES： O(CC)C(NC1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 300.03424
- Monoisotopic Mass: 300.03421323g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 415
- 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: 1.9
- Topological Polar Surface Area: 176?2
Experimental Properties
- PSA: 167.75
Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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