Cas no 33458-34-3 (2,4-dimethyl-3-nitro-1H-Pyrrole)
33458-34-3 structure
Product Name:2,4-dimethyl-3-nitro-1H-Pyrrole
CAS No:33458-34-3
MF:C6H8N2O2
MW:140.139921188354
CID:1111060
PubChem ID:14351857
Update Time:2025-04-20
2,4-dimethyl-3-nitro-1H-Pyrrole Chemical and Physical Properties
Names and Identifiers
-
- 2,4-dimethyl-3-nitro-1H-Pyrrole
- 2,4-dimethyl-3-nitropyrrole
- 33458-34-3
- DTXSID901304939
- AE-562/43459952
- AKOS006349756
-
- Inchi： 1S/C6H8N2O2/c1-4-3-7-5(2)6(4)8(9)10/h3,7H,1-2H3
- InChI Key： CTZTYWGGJITZJZ-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C(C)=CNC=1C)=O
Computed Properties
- Exact Mass: 140.05864
- Monoisotopic Mass: 140.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 143
- 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: 1.3
- Topological Polar Surface Area: 61.6?2
Experimental Properties
- PSA: 58.93
2,4-dimethyl-3-nitro-1H-Pyrrole 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
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
33458-34-3 (2,4-dimethyl-3-nitro-1H-Pyrrole) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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