Cas no 942920-34-5 (1-Tert-butyl-3-(4-nitrophenyl)-1H-pyrazole)
942920-34-5 structure
Product Name:1-Tert-butyl-3-(4-nitrophenyl)-1H-pyrazole
CAS No:942920-34-5
MF:C13H15N3O2
MW:245.277102708817
CID:2111922
Update Time:2023-08-03
1-Tert-butyl-3-(4-nitrophenyl)-1H-pyrazole Chemical and Physical Properties
Names and Identifiers
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- 1-tert-butyl-3-(4-nitrophenyl)-1H-pyrazole
- 1-(1,1-Dimethylethyl)-3-(4-nitrophenyl)-1H-pyrazole
- 1-tert-butyl-3-(4-nitrophenyl)pyrazole
- ZZJWRGJVRULGBO-UHFFFAOYSA-N
- 1-Tert-butyl-3-(4-nitrophenyl)-1H-pyrazole
-
- Inchi： 1S/C13H15N3O2/c1-13(2,3)15-9-8-12(14-15)10-4-6-11(7-5-10)16(17)18/h4-9H,1-3H3
- InChI Key： ZZJWRGJVRULGBO-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC(=CC=1)C1C=CN(C(C)(C)C)N=1)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 300
- Topological Polar Surface Area: 63.6
1-Tert-butyl-3-(4-nitrophenyl)-1H-pyrazole Related Literature
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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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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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