Cas no 89876-64-2 (2-(6-chloro-2-pyrazinyl)-Propanedinitrile)
89876-64-2 structure
Product Name:2-(6-chloro-2-pyrazinyl)-Propanedinitrile
CAS No:89876-64-2
MF:C7H3ClN4
MW:178.578519105911
CID:586240
PubChem ID:13234506
Update Time:2025-04-19
2-(6-chloro-2-pyrazinyl)-Propanedinitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-(6-chloro-2-pyrazinyl)-Propanedinitrile
- 2-(6-chloropyrazin-2-yl)propanedinitrile
- Propanedinitrile, (6-chloropyrazinyl)-
- 89876-64-2
- DTXSID40530699
- (6-Chloropyrazin-2-yl)propanedinitrile
-
- Inchi： 1S/C7H3ClN4/c8-7-4-11-3-6(12-7)5(1-9)2-10/h3-5H
- InChI Key： OKFDJDBIKRFFSK-UHFFFAOYSA-N
- SMILES： ClC1=CN=CC(C(C#N)C#N)=N1
Computed Properties
- Exact Mass: 178.0046238g/mol
- Monoisotopic Mass: 178.0046238g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 231
- 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: 0.3
- Topological Polar Surface Area: 73.4?2
2-(6-chloro-2-pyrazinyl)-Propanedinitrile Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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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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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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