Cas no 910857-85-1 (1-(2-Chloro-ethyl)-3-methyl-1H-pyrazole-4-carbonitrile)
910857-85-1 structure
Product Name:1-(2-Chloro-ethyl)-3-methyl-1H-pyrazole-4-carbonitrile
CAS No:910857-85-1
MF:C7H8ClN3
MW:169.611519813538
CID:3155212
PubChem ID:16767334
Update Time:2025-04-21
1-(2-Chloro-ethyl)-3-methyl-1H-pyrazole-4-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 1-(2-Chloro-ethyl)-3-methyl-1H-pyrazole-4-carbonitrile
- 910857-85-1
- 1-(2-chloroethyl)-3-methyl-1{H}-pyrazole-4-carbonitrile
- AKOS005605150
- 1-(2-chloroethyl)-3-methylpyrazole-4-carbonitrile
- STK693403
- 1-(2-chloroethyl)-3-methyl-1H-pyrazole-4-carbonitrile
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- Inchi： 1S/C7H8ClN3/c1-6-7(4-9)5-11(10-6)3-2-8/h5H,2-3H2,1H3
- InChI Key： PWAIQXYUQYURHO-UHFFFAOYSA-N
- SMILES： ClCCN1C=C(C#N)C(C)=N1
Computed Properties
- Exact Mass: 169.0406750Da
- Monoisotopic Mass: 169.0406750Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 174
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 41.6?2
1-(2-Chloro-ethyl)-3-methyl-1H-pyrazole-4-carbonitrile Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Hui Liu,Deyong Su,Guolin Cheng,Jimin Xu,Xinyan Wang,Yuefei Hu Org. Biomol. Chem., 2010,8, 1899-1904
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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