Cas no 1341704-90-2 (1H-Pyrazole-1-propanal, 4-nitro-)
1341704-90-2 structure
Product Name:1H-Pyrazole-1-propanal, 4-nitro-
CAS No:1341704-90-2
MF:C6H7N3O3
MW:169.138080835342
CID:2141636
Update Time:2023-08-04
1H-Pyrazole-1-propanal, 4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 3-(4-nitro-1H-pyrazol-1-yl)propanal
- 1H-Pyrazole-1-propanal, 4-nitro-
- WCZFLXCXICISRT-UHFFFAOYSA-N
-
- Inchi: 1S/C6H7N3O3/c10-3-1-2-8-5-6(4-7-8)9(11)12/h3-5H,1-2H2
- InChI Key: WCZFLXCXICISRT-UHFFFAOYSA-N
- SMILES: O=CCCN1C=C(C=N1)[N+](=O)[O-]
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 179
- Topological Polar Surface Area: 80.7
1H-Pyrazole-1-propanal, 4-nitro- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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