Cas no 1029052-28-5 (Methyl 1-ethyl-3-nitropyrazole-5-carboxylate)
1029052-28-5 structure
Product Name:Methyl 1-ethyl-3-nitropyrazole-5-carboxylate
CAS No:1029052-28-5
MF:C7H9N3O4
MW:199.164061307907
CID:2151447
Update Time:2023-08-05
Methyl 1-ethyl-3-nitropyrazole-5-carboxylate Chemical and Physical Properties
Names and Identifiers
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- 2-ethyl-5-nitro-2H-pyrazole-3-carboxylic acid methyl ester
- methyl 1-ethyl-3-nitropyrazole-5-carboxylate
- PIFWGIFGFOLJKT-UHFFFAOYSA-N
- SBB073769
- ST45256157
- Methyl 1-ethyl-3-nitropyrazole-5-carboxylate
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- Inchi： 1S/C7H9N3O4/c1-3-9-5(7(11)14-2)4-6(8-9)10(12)13/h4H,3H2,1-2H3
- InChI Key： PIFWGIFGFOLJKT-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CC([N+](=O)[O-])=NN1CC)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 240
- Topological Polar Surface Area: 89.9
Methyl 1-ethyl-3-nitropyrazole-5-carboxylate Related Literature
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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