Cas no 21979-62-4 (Quinolinium,1-methyl-6-nitro-, iodide (1:1))
21979-62-4 structure
Product Name:Quinolinium,1-methyl-6-nitro-, iodide (1:1)
CAS No:21979-62-4
MF:C10H9IN2O2
MW:316.095134496689
CID:264420
PubChem ID:210949
Update Time:2025-04-19
Quinolinium,1-methyl-6-nitro-, iodide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Quinolinium,1-methyl-6-nitro-, iodide (1:1)
- 1-methyl-6-nitroquinolin-1-ium,iodide
- 1-methyl-6-nitroquinolin-1-ium iodide
- 1-Methyl-6-nitroquinolinium iodide
- 21979-62-4
- DTXSID50944566
- Quinolinium, 1-methyl-6-nitro-, iodide
- AKOS015953394
-
- Inchi: 1S/C10H9N2O2.HI/c1-11-6-2-3-8-7-9(12(13)14)4-5-10(8)11;/h2-7H,1H3;1H/q+1;/p-1
- InChI Key: XCDNIMAMKUIZEP-UHFFFAOYSA-M
- SMILES: [I-].[O-][N+](C1C=CC2C(=CC=C[N+]=2C)C=1)=O
Computed Properties
- Exact Mass: 306.9
- Monoisotopic Mass: 315.97088g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 227
- 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: 49.7?2
Experimental Properties
- PSA: 47.02
Quinolinium,1-methyl-6-nitro-, iodide (1:1) Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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