Cas no 1116093-33-4 (4-Bromo-5-cyclohexyl-1-methylpyrazole)
1116093-33-4 structure
Product Name:4-Bromo-5-cyclohexyl-1-methylpyrazole
CAS No:1116093-33-4
MF:C10H15BrN2
MW:243.143501520157
CID:2114298
Update Time:2023-08-04
4-Bromo-5-cyclohexyl-1-methylpyrazole Chemical and Physical Properties
Names and Identifiers
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- 4-bromo-5-cyclohexyl-1-methyl-1H-Pyrazole
- 4-Bromo-5-cyclohexyl-1-methylpyrazole
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- Inchi： 1S/C10H15BrN2/c1-13-10(9(11)7-12-13)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
- InChI Key： ZIERZCYCCYQHGF-UHFFFAOYSA-N
- SMILES： BrC1C=NN(C)C=1C1CCCCC1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 168
- Topological Polar Surface Area: 17.8
4-Bromo-5-cyclohexyl-1-methylpyrazole 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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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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