Cas no 1352329-26-0 (3-Pyridinecarbonitrile, 4-chloro-6-(1,1-dimethylethyl)-)
1352329-26-0 structure
Product Name:3-Pyridinecarbonitrile, 4-chloro-6-(1,1-dimethylethyl)-
CAS No:1352329-26-0
MF:C10H11ClN2
MW:194.660741090775
CID:2125623
Update Time:2023-08-04
3-Pyridinecarbonitrile, 4-chloro-6-(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
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- 6-tert-butyl-4-chloronicotinonitrile
- 3-Pyridinecarbonitrile, 4-chloro-6-(1,1-dimethylethyl)-
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- Inchi： 1S/C10H11ClN2/c1-10(2,3)9-4-8(11)7(5-12)6-13-9/h4,6H,1-3H3
- InChI Key： KRIANBMRGUPXTB-UHFFFAOYSA-N
- SMILES： ClC1C(C#N)=CN=C(C=1)C(C)(C)C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 223
- Topological Polar Surface Area: 36.7
3-Pyridinecarbonitrile, 4-chloro-6-(1,1-dimethylethyl)- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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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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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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