Cas no 202348-96-7 (1-(4-nitro-1H-pyrrol-3-yl)-Ethanone)
202348-96-7 structure
Product Name:1-(4-nitro-1H-pyrrol-3-yl)-Ethanone
CAS No:202348-96-7
MF:C6H6N2O3
MW:154.12344121933
CID:1057695
PubChem ID:10942661
Update Time:2025-04-20
1-(4-nitro-1H-pyrrol-3-yl)-Ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(4-nitro-1H-pyrrol-3-yl)-Ethanone
- Ethanone, 1-(4-nitro-1H-pyrrol-3-yl)-
- 202348-96-7
- SB63757
- DB-287090
- 1-(4-nitro-1H-pyrrol-3-yl)ethanone
-
- Inchi： 1S/C6H6N2O3/c1-4(9)5-2-7-3-6(5)8(10)11/h2-3,7H,1H3
- InChI Key： CKDHKICODUBLFB-UHFFFAOYSA-N
- SMILES： O=C(C)C1=CNC=C1[N+](=O)[O-]
Computed Properties
- Exact Mass: 154.03784206g/mol
- Monoisotopic Mass: 154.03784206g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 187
- 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: 78.7?2
1-(4-nitro-1H-pyrrol-3-yl)-Ethanone Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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