Cas no 38858-96-7 (1H-Pyrazole, 4-nitro-3-phenyl-)
38858-96-7 structure
Product Name:1H-Pyrazole, 4-nitro-3-phenyl-
CAS No:38858-96-7
MF:C9H7N3O2
MW:189.170781373978
CID:1493313
PubChem ID:3608213
Update Time:2025-04-21
1H-Pyrazole, 4-nitro-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 4-nitro-3-phenyl-
- 38858-96-7
- AKOS010654342
- 4-Nitro-3-phenyl-1H-pyrazole
- 4-nitro-5-phenyl-1H-pyrazole
- SCHEMBL5242265
- DTXSID401309384
-
- Inchi： 1S/C9H7N3O2/c13-12(14)8-6-10-11-9(8)7-4-2-1-3-5-7/h1-6H,(H,10,11)
- InChI Key： YRHDAZUZHQCSCS-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=NNC=1C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 189.05391
- Monoisotopic Mass: 189.053826475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- 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: 1.7
- Topological Polar Surface Area: 74.5?2
Experimental Properties
- PSA: 71.82
1H-Pyrazole, 4-nitro-3-phenyl- Related Literature
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
38858-96-7 (1H-Pyrazole, 4-nitro-3-phenyl-) Related Products
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