Cas no 58012-20-7 (1H-Imidazole, 1-(2-bromoethyl)-2-ethyl-5-nitro-)
58012-20-7 structure
Product Name:1H-Imidazole, 1-(2-bromoethyl)-2-ethyl-5-nitro-
CAS No:58012-20-7
MF:C7H10BrN3O2
MW:248.07720041275
CID:343435
PubChem ID:21314208
Update Time:2025-04-19
1H-Imidazole, 1-(2-bromoethyl)-2-ethyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole, 1-(2-bromoethyl)-2-ethyl-5-nitro-
- 1-(2-bromoethyl)-2-ethyl-5-nitroimidazole
- 58012-20-7
- 1-(2-Bromoethyl)-2-ethyl-5-nitro-1H-imidazole
- SCHEMBL11518929
- DTXSID90612237
-
- Inchi： 1S/C7H10BrN3O2/c1-2-6-9-5-7(11(12)13)10(6)4-3-8/h5H,2-4H2,1H3
- InChI Key： XLGUKWZVVYEDAY-UHFFFAOYSA-N
- SMILES： BrCCN1C(=CN=C1CC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 246.9957
- Monoisotopic Mass: 246.99564g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 185
- 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: 63.6?2
Experimental Properties
- PSA: 60.96
1H-Imidazole, 1-(2-bromoethyl)-2-ethyl-5-nitro- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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