Cas no 105613-78-3 (1H-1,2,4-Triazole, 3-nitro-1-(phenylsulfonyl)-)
105613-78-3 structure
Product Name:1H-1,2,4-Triazole, 3-nitro-1-(phenylsulfonyl)-
CAS No:105613-78-3
MF:C8H6N4O4S
MW:254.222639560699
CID:1156887
PubChem ID:71333659
Update Time:2025-04-20
1H-1,2,4-Triazole, 3-nitro-1-(phenylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-1,2,4-Triazole, 3-nitro-1-(phenylsulfonyl)-
- 1-(benzenesulfonyl)-3-nitro-1,2,4-triazole
- DTXSID90761875
- 3-Nitro-1H-1,2,4-triazolide sulfonyl resin
- 105613-78-3
- 1-(Benzenesulfonyl)-3-nitro-1H-1,2,4-triazole
-
- Inchi： 1S/C8H6N4O4S/c13-12(14)8-9-6-11(10-8)17(15,16)7-4-2-1-3-5-7/h1-6H
- InChI Key： MLEDGXJDNKLUPH-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(N1C=NC([N+](=O)[O-])=N1)(=O)=O
Computed Properties
- Exact Mass: 254.01097586g/mol
- Monoisotopic Mass: 254.01097586g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 381
- 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: 1.4
- Topological Polar Surface Area: 119?2
1H-1,2,4-Triazole, 3-nitro-1-(phenylsulfonyl)- Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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