Cas no 6293-65-8 (Diphenyliodanium;2,4,6-trinitrophenol)
6293-65-8 structure
Product Name:Diphenyliodanium;2,4,6-trinitrophenol
CAS No:6293-65-8
MF:C18H13IN3O7
MW:510.216196775436
CID:958336
PubChem ID:24181416
Update Time:2025-04-19
Diphenyliodanium;2,4,6-trinitrophenol Chemical and Physical Properties
Names and Identifiers
-
- diphenyliodanium,2,4,6-trinitrophenol
- 2,4,6-trinitrophenol
- Diphenyliodanium
- NSC8982
- NSC-8982
- DTXSID30636250
- 6293-65-8
- diphenyliodanium;2,4,6-trinitrophenol
- Diphenyliodanium;2,4,6-trinitrophenol
-
- Inchi： 1S/C12H10I.C6H3N3O7/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-10H;1-2,10H/q+1;
- InChI Key： DIMWQKOJXMFPSG-UHFFFAOYSA-N
- SMILES： [I+](C1C=CC=CC=1)C1C=CC=CC=1.OC1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 509.98000
- Monoisotopic Mass: 509.97982g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 29
- Rotatable Bond Count: 2
- Complexity: 408
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 158?2
Experimental Properties
- PSA: 157.69000
- LogP: 2.50140
Diphenyliodanium;2,4,6-trinitrophenol Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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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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