Cas no 59548-24-2 (3,5-Bis(4-nitrophenyl)-1H-pyrazole)
59548-24-2 structure
Product Name:3,5-Bis(4-nitrophenyl)-1H-pyrazole
CAS No:59548-24-2
MF:C15H10N4O4
MW:310.26430273056
CID:2105838
Update Time:2023-08-03
3,5-Bis(4-nitrophenyl)-1H-pyrazole Chemical and Physical Properties
Names and Identifiers
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- 3,5-bis(4-nitrophenyl)-1H-pyrazole
- CBDivE_006233
- 3,5-Di(4-nitrophenyl)-1H-pyrazole
- 3,5-Bis(4-nitrophenyl)-1H-pyrazole
-
- Inchi： 1S/C15H10N4O4/c20-18(21)12-5-1-10(2-6-12)14-9-15(17-16-14)11-3-7-13(8-4-11)19(22)23/h1-9H,(H,16,17)
- InChI Key： VKARCXAIYFAJCV-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC(=CC=1)C1=CC(C2C=CC(=CC=2)[N+](=O)[O-])=NN1)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 434
- Topological Polar Surface Area: 120
3,5-Bis(4-nitrophenyl)-1H-pyrazole Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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