Cas no 1248636-16-9 (2-(4-Chloro-1H-pyrazol-1-yl)propanenitrile)
1248636-16-9 structure
Product Name:2-(4-Chloro-1H-pyrazol-1-yl)propanenitrile
CAS No:1248636-16-9
MF:C6H6ClN3
MW:155.584939479828
CID:2112134
Update Time:2023-08-04
2-(4-Chloro-1H-pyrazol-1-yl)propanenitrile Chemical and Physical Properties
Names and Identifiers
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- 2-(4-chloro-1H-pyrazol-1-yl)propanenitrile
- NKAXVVNDUQAOAI-UHFFFAOYSA-N
- 2-(4-Chloro-1H-pyrazol-1-yl)propanenitrile
-
- Inchi： 1S/C6H6ClN3/c1-5(2-8)10-4-6(7)3-9-10/h3-5H,1H3
- InChI Key： NKAXVVNDUQAOAI-UHFFFAOYSA-N
- SMILES： ClC1C=NN(C=1)C(C#N)C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 162
- Topological Polar Surface Area: 41.6
2-(4-Chloro-1H-pyrazol-1-yl)propanenitrile Related Literature
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
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