Cas no 93677-02-2 (1H-Pyrazole-1-acetamide,N-hydroxy-3-nitro-)
93677-02-2 structure
Product Name:1H-Pyrazole-1-acetamide,N-hydroxy-3-nitro-
1H-Pyrazole-1-acetamide,N-hydroxy-3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-1-acetamide,N-hydroxy-3-nitro-
- 1-acetohydroxamic acid-3-nitropyrazole
- N-hydroxy-2-(3-nitropyrazol-1-yl)acetamide
- 1H-Pyrazole-1-acetamide, N-hydroxy-3-nitro-, (R-(R*,S*-(E)))-
- 93677-02-2
- DTXSID20239532
- Djw-258
- Djw 258
-
- Inchi: 1S/C5H6N4O4/c10-5(7-11)3-8-2-1-4(6-8)9(12)13/h1-2,11H,3H2,(H,7,10)
- InChI Key: YPTMGEJOWGQWNX-UHFFFAOYSA-N
- SMILES: O=C(CN1C=CC([N+](=O)[O-])=N1)NO
Computed Properties
- Exact Mass: 186.039
- Monoisotopic Mass: 186.039
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 215
- 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: 113?2
Experimental Properties
- Density: 1.77
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.699
1H-Pyrazole-1-acetamide,N-hydroxy-3-nitro- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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