Cas no 76216-85-8 (4-Nitro-1H-pyrazole)
4-Nitro-1H-pyrazole structure
Product Name:4-Nitro-1H-pyrazole
CAS No:76216-85-8
MF:C3H3N3O2
MW:113.074819803238
CID:5032680
PubChem ID:16376
Update Time:2024-03-01
4-Nitro-1H-pyrazole Chemical and Physical Properties
Names and Identifiers
-
- 4-Nitro-1H-pyrazole
- 4-Nitropyrazole
- 1H-Pyrazole, 4-nitro-
- PYRAZOLE, 4-NITRO-
- 4-NITROPYRRAZOLE
- 4-nitropyrazol
- 4-NO2-pyrazole
- 4-nitro-1H-pyrazol
- 1H-Pyrazole-4-nitro
- PubChem14984
- 4-nitro-1-H-pyrazole
- 4-Nitro-1H-pyrazole #
- BCP26162
- EBD38479
- BBL008542
- RW3343
- SBB000042
- STK263689
- AB04175
- LS20089
-
- Inchi： 1S/C3H3N3O2/c7-6(8)3-1-4-5-2-3/h1-2H,(H,4,5)
- InChI Key： XORHNJQEWQGXCN-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=NNC=1)=O
Computed Properties
- Exact Mass: 113.022526347g/mol
- Monoisotopic Mass: 113.022526347g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 99.2
- 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: 0.6
- Topological Polar Surface Area: 74.5
4-Nitro-1H-pyrazole Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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