Cas no 62617-51-0 (3-Pyridinecarbonitrile, 4-chloro-1-ethyl-1,2-dihydro-2-oxo-)
62617-51-0 structure
Product Name:3-Pyridinecarbonitrile, 4-chloro-1-ethyl-1,2-dihydro-2-oxo-
CAS No:62617-51-0
MF:C8H7ClN2O
MW:182.60698056221
CID:437942
PubChem ID:71384553
Update Time:2025-04-19
3-Pyridinecarbonitrile, 4-chloro-1-ethyl-1,2-dihydro-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarbonitrile, 4-chloro-1-ethyl-1,2-dihydro-2-oxo-
- 4-chloro-1-ethyl-2-oxopyridine-3-carbonitrile
- 62617-51-0
- 4-Chloro-1-ethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
- DTXSID40806806
-
- Inchi： 1S/C8H7ClN2O/c1-2-11-4-3-7(9)6(5-10)8(11)12/h3-4H,2H2,1H3
- InChI Key： HHHZCZQSMKWUDS-UHFFFAOYSA-N
- SMILES： ClC1C=CN(C(C=1C#N)=O)CC
Computed Properties
- Exact Mass: 182.02481
- Monoisotopic Mass: 182.0246905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 321
- 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: 1
- Topological Polar Surface Area: 44.1?2
Experimental Properties
- PSA: 44.1
3-Pyridinecarbonitrile, 4-chloro-1-ethyl-1,2-dihydro-2-oxo- Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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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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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
62617-51-0 (3-Pyridinecarbonitrile, 4-chloro-1-ethyl-1,2-dihydro-2-oxo-) Related Products
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