Cas no 176757-75-8 (1,1'-(Propane-1,3-diyl)bis[3-(chloromethyl)-5-methyl-1H-pyrazole])
![1,1'-(Propane-1,3-diyl)bis[3-(chloromethyl)-5-methyl-1H-pyrazole] structure](https://ossimg.kuujia.com/scimg/177000/176757-75-8x500.png)
176757-75-8 structure
Product Name:1,1'-(Propane-1,3-diyl)bis[3-(chloromethyl)-5-methyl-1H-pyrazole]
CAS No:176757-75-8
MF:C13H18Cl2N4
MW:301.214820384979
CID:2782721
Update Time:2023-08-07
1,1'-(Propane-1,3-diyl)bis[3-(chloromethyl)-5-methyl-1H-pyrazole] Chemical and Physical Properties
Names and Identifiers
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- 1,1'-Trimethylenebis[3-(chloromethyl)-5-methyl-1H-pyrazole]
- 1,1'-(Propane-1,3-diyl)bis[3-(chloromethyl)-5-methyl-1H-pyrazole]
-
- Inchi： 1S/C13H18Cl2N4/c1-10-6-12(8-14)16-18(10)4-3-5-19-11(2)7-13(9-15)17-19/h6-7H,3-5,8-9H2,1-2H3
- InChI Key： KNKCMPPZFGJVJO-UHFFFAOYSA-N
- SMILES： ClCC1C=C(C)N(CCCN2C(C)=CC(CCl)=N2)N=1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 253
- XLogP3: 2.1
- Topological Polar Surface Area: 35.6
1,1'-(Propane-1,3-diyl)bis[3-(chloromethyl)-5-methyl-1H-pyrazole] Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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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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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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