Cas no 52944-54-4 (1H-Pyrazole, 4-nitro-1-(4-nitrophenyl)-)
52944-54-4 structure
Product Name:1H-Pyrazole, 4-nitro-1-(4-nitrophenyl)-
CAS No:52944-54-4
MF:C9H6N4O4
MW:234.168341159821
CID:358419
PubChem ID:3006249
Update Time:2025-04-19
1H-Pyrazole, 4-nitro-1-(4-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole, 4-nitro-1-(4-nitrophenyl)-
- 4-nitro-1-(4-nitrophenyl)pyrazole
- 1-(4-Nitrophenyl)-4-nitropyrazole
- DTXSID10388301
- 52944-54-4
- 4-Nitro-1-(4-nitrophenyl)-1H-pyrazole
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- MDL： MFCD00956385
- Inchi： 1S/C9H6N4O4/c14-12(15)8-3-1-7(2-4-8)11-6-9(5-10-11)13(16)17/h1-6H
- InChI Key： FUCHUFPDHFDJEN-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=NN(C=1)C1C=CC(=CC=1)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 234.03898
- Monoisotopic Mass: 234.03890469g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 305
- 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: 1.5
- Topological Polar Surface Area: 110?2
Experimental Properties
- PSA: 104.1
1H-Pyrazole, 4-nitro-1-(4-nitrophenyl)- Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
52944-54-4 (1H-Pyrazole, 4-nitro-1-(4-nitrophenyl)-) Related Products
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