Cas no 19005-60-8 (3,5-Dimethyl-1-(pentafluorophenyl)-1H-pyrazole)
19005-60-8 structure
Product Name:3,5-Dimethyl-1-(pentafluorophenyl)-1H-pyrazole
CAS No:19005-60-8
MF:C11H7F5N2
MW:262.178699731827
CID:2787045
Update Time:2023-08-07
3,5-Dimethyl-1-(pentafluorophenyl)-1H-pyrazole Chemical and Physical Properties
Names and Identifiers
-
- 1-(Pentafluorophenyl)-3,5-dimethyl-1H-pyrazole
- 3,5-Dimethyl-1-(pentafluorophenyl)-1H-pyrazole
-
- Inchi： 1S/C11H7F5N2/c1-4-3-5(2)18(17-4)11-9(15)7(13)6(12)8(14)10(11)16/h3H,1-2H3
- InChI Key： PWPULACVDVZWIT-UHFFFAOYSA-N
- SMILES： FC1C(=C(C(=C(C=1N1C(C)=CC(C)=N1)F)F)F)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 289
- XLogP3: 3.2
- Topological Polar Surface Area: 17.8
3,5-Dimethyl-1-(pentafluorophenyl)-1H-pyrazole Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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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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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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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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