Cas no 1207877-93-7 (1-Tert-butyl-4-nitro-1H-pyrazole-3-carboxylic acid)
1207877-93-7 structure
Product Name:1-Tert-butyl-4-nitro-1H-pyrazole-3-carboxylic acid
CAS No:1207877-93-7
MF:C8H11N3O4
MW:213.190641641617
CID:2104079
Update Time:2023-08-03
1-Tert-butyl-4-nitro-1H-pyrazole-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 1-tert-butyl-4-nitro-1H-pyrazole-3-carboxylic acid
- MDGDSDZBDHHCRI-UHFFFAOYSA-N
- 1-Tert-butyl-4-nitro-1H-pyrazole-3-carboxylic acid
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- Inchi： 1S/C8H11N3O4/c1-8(2,3)10-4-5(11(14)15)6(9-10)7(12)13/h4H,1-3H3,(H,12,13)
- InChI Key： MDGDSDZBDHHCRI-UHFFFAOYSA-N
- SMILES： OC(C1C(=CN(C(C)(C)C)N=1)[N+](=O)[O-])=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 281
- Topological Polar Surface Area: 101
1-Tert-butyl-4-nitro-1H-pyrazole-3-carboxylic acid Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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4. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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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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