Cas no 4072-45-1 (Iodonium,(4-methoxyphenyl)(4-nitrophenyl)-, bromide (1:1))
4072-45-1 structure
Product Name:Iodonium,(4-methoxyphenyl)(4-nitrophenyl)-, bromide (1:1)
CAS No:4072-45-1
MF:C13H11BrINO3
MW:436.039815187454
CID:334969
PubChem ID:24189242
Update Time:2025-04-19
Iodonium,(4-methoxyphenyl)(4-nitrophenyl)-, bromide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- (4-methoxyphenyl)-(4-nitrophenyl)iodanium,bromide
- Iodonium,(4-methoxyphenyl)(4-nitrophenyl)-, bromide (1:1)
- (4-Methoxyphenyl)(4-nitrophenyl)iodanium bromide
- DTXSID20637559
- 4072-45-1
- NSC86356
- Iodonium, (p-methoxyphenyl)(p-nitrophenyl)- bromide
- NSC-86356
-
- Inchi： 1S/C13H11INO3.BrH/c1-18-13-8-4-11(5-9-13)14-10-2-6-12(7-3-10)15(16)17;/h2-9H,1H3;1H/q+1;/p-1
- InChI Key： IDWORHUWWHPXKQ-UHFFFAOYSA-M
- SMILES： [I+](C1C=CC(=CC=1)[N+](=O)[O-])C1C=CC(=CC=1)OC.[Br-]
Computed Properties
- Exact Mass: 423.8101
- Monoisotopic Mass: 434.896699
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 266
- 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: 55
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 52.37
Iodonium,(4-methoxyphenyl)(4-nitrophenyl)-, bromide (1:1) Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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