Cas no 62537-73-9 (1H-Pyrazole, 4-nitro-1-(3-nitrophenyl)-)
62537-73-9 structure
Product Name:1H-Pyrazole, 4-nitro-1-(3-nitrophenyl)-
CAS No:62537-73-9
MF:C9H6N4O4
MW:234.168341159821
CID:441258
PubChem ID:12346896
Update Time:2025-04-19
1H-Pyrazole, 4-nitro-1-(3-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 4-nitro-1-(3-nitrophenyl)-
- 4-nitro-1-(3-nitrophenyl)pyrazole
- 4-Nitro-1-(3-nitrophenyl)-1H-pyrazole
- DTXSID00492840
- 62537-73-9
-
- Inchi： 1S/C9H6N4O4/c14-12(15)8-3-1-2-7(4-8)11-6-9(5-10-11)13(16)17/h1-6H
- InChI Key： QFFHPGPZLCHVPK-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=NN(C=1)C1C=CC=C(C=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: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 313
- 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-(3-nitrophenyl)- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
62537-73-9 (1H-Pyrazole, 4-nitro-1-(3-nitrophenyl)-) Related Products
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