Cas no 62537-75-1 (Benzenamine, 3-(4-nitro-1H-pyrazol-1-yl)-)
62537-75-1 structure
Product Name:Benzenamine, 3-(4-nitro-1H-pyrazol-1-yl)-
CAS No:62537-75-1
MF:C9H8N4O2
MW:204.18542098999
CID:441256
PubChem ID:12346898
Update Time:2025-04-19
Benzenamine, 3-(4-nitro-1H-pyrazol-1-yl)- Chemical and Physical Properties
Names and Identifiers
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- Benzenamine, 3-(4-nitro-1H-pyrazol-1-yl)-
- 3-(4-nitropyrazol-1-yl)aniline
- DTXSID20492842
- 62537-75-1
- 3-(4-Nitro-1H-pyrazol-1-yl)aniline
-
- Inchi： 1S/C9H8N4O2/c10-7-2-1-3-8(4-7)12-6-9(5-11-12)13(14)15/h1-6H,10H2
- InChI Key： XXIKZZNOJOLJIL-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=NN(C=1)C1C=CC=C(C=1)N)=O
Computed Properties
- Exact Mass: 204.06484
- Monoisotopic Mass: 204.06472551g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 243
- 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
- Topological Polar Surface Area: 89.7?2
Experimental Properties
- PSA: 86.98
Benzenamine, 3-(4-nitro-1H-pyrazol-1-yl)- Related Literature
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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3. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
62537-75-1 (Benzenamine, 3-(4-nitro-1H-pyrazol-1-yl)-) Related Products
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