Cas no 64031-11-4 (Ethanone, 1-(4-methyl-3-nitro-1H-pyrrol-2-yl)-)
64031-11-4 structure
Product Name:Ethanone, 1-(4-methyl-3-nitro-1H-pyrrol-2-yl)-
CAS No:64031-11-4
MF:C7H8N2O3
MW:168.15002155304
CID:1673451
PubChem ID:12350026
Update Time:2025-04-21
Ethanone, 1-(4-methyl-3-nitro-1H-pyrrol-2-yl)- Chemical and Physical Properties
Names and Identifiers
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- Ethanone, 1-(4-methyl-3-nitro-1H-pyrrol-2-yl)-
- 1-(4-methyl-3-nitro-1H-pyrrol-2-yl)ethanone
- DTXSID70493182
- 1-(4-Methyl-3-nitro-1H-pyrrol-2-yl)ethan-1-one
- 2-acetyl-3-nitro-4-methylpyrrole
- 64031-11-4
-
- Inchi： 1S/C7H8N2O3/c1-4-3-8-6(5(2)10)7(4)9(11)12/h3,8H,1-2H3
- InChI Key： UTDCVHBAGCNCMU-UHFFFAOYSA-N
- SMILES： O=C(C)C1=C(C(C)=CN1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 168.05354
- Monoisotopic Mass: 168.05349212g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 211
- 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: 0.9
- Topological Polar Surface Area: 78.7?2
Experimental Properties
- PSA: 76
Ethanone, 1-(4-methyl-3-nitro-1H-pyrrol-2-yl)- Related Literature
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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3. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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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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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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