Cas no 137025-12-8 (Methanone, (4-nitrophenyl)-1H-pyrrol-3-yl-)
137025-12-8 structure
Product Name:Methanone, (4-nitrophenyl)-1H-pyrrol-3-yl-
CAS No:137025-12-8
MF:C11H8N2O3
MW:216.19282245636
CID:1249908
PubChem ID:10703913
Update Time:2025-04-20
Methanone, (4-nitrophenyl)-1H-pyrrol-3-yl- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, (4-nitrophenyl)-1H-pyrrol-3-yl-
- (4-nitrophenyl)-(1H-pyrrol-3-yl)methanone
- 137025-12-8
- DTXSID90443745
-
- Inchi： 1S/C11H8N2O3/c14-11(9-5-6-12-7-9)8-1-3-10(4-2-8)13(15)16/h1-7,12H
- InChI Key： GPAQJHPQBICXGP-UHFFFAOYSA-N
- SMILES： O=C(C1C=CNC=1)C1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 216.05354
- Monoisotopic Mass: 216.05349212g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 279
- 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: 78.7?2
Experimental Properties
- PSA: 76
Methanone, (4-nitrophenyl)-1H-pyrrol-3-yl- 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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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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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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