Cas no 59566-51-7 (1H-Imidazole-1-acetic acid, 4-nitro-, ethyl ester)
59566-51-7 structure
Product Name:1H-Imidazole-1-acetic acid, 4-nitro-, ethyl ester
CAS No:59566-51-7
MF:C7H9N3O4
MW:199.164061307907
CID:338235
PubChem ID:683558
Update Time:2025-04-19
1H-Imidazole-1-acetic acid, 4-nitro-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-1-acetic acid, 4-nitro-, ethyl ester
- ethyl 2-(4-nitroimidazol-1-yl)acetate
- 59566-51-7
- MFCD00470205
- SY345228
- SCHEMBL16246028
- Ethyl 2-(4-Nitro-1-imidazolyl)acetate
- EU-0051341
- WGFYNFMJQWDXRS-UHFFFAOYSA-N
- DTXSID60350578
- AKOS001704717
- ethyl 2-(4-nitro-1H-imidazol-1-yl)acetate
- ST008460
-
- Inchi： 1S/C7H9N3O4/c1-2-14-7(11)4-9-3-6(8-5-9)10(12)13/h3,5H,2,4H2,1H3
- InChI Key： WGFYNFMJQWDXRS-UHFFFAOYSA-N
- SMILES： O(CC)C(CN1C=NC(=C1)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 199.05937
- Monoisotopic Mass: 199.05930578g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 228
- 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: 0.2
- Topological Polar Surface Area: 89.9?2
Experimental Properties
- PSA: 87.26
1H-Imidazole-1-acetic acid, 4-nitro-, ethyl ester Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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