Cas no 2806720-56-7 (5-bromo-1-(difluoromethyl)pyridin-2(1H)-one-3,4,6-d3)
2806720-56-7 structure
Product Name:5-bromo-1-(difluoromethyl)pyridin-2(1H)-one-3,4,6-d3
CAS No:2806720-56-7
MF:C6H4BrF2NO
MW:227.021352767944
CID:6827128
PubChem ID:172404985
Update Time:2025-02-19
5-bromo-1-(difluoromethyl)pyridin-2(1H)-one-3,4,6-d3 Chemical and Physical Properties
Names and Identifiers
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- CS-25388
- 2806720-56-7
- 5-bromo-1-(difluoromethyl)pyridin-2(1H)-one-3,4,6-d3
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- Inchi： 1S/C6H4BrF2NO/c7-4-1-2-5(11)10(3-4)6(8)9/h1-3,6H/i1D,2D,3D
- InChI Key： KMAQQDDPRGOPRF-CBYSEHNBSA-N
- SMILES： BrC1C([2H])=C([2H])C(N(C(F)F)C=1[2H])=O
Computed Properties
- Exact Mass: 225.96326Da
- Monoisotopic Mass: 225.96326Da
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 237
- 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: 1.7
- Topological Polar Surface Area: 20.3?2
5-bromo-1-(difluoromethyl)pyridin-2(1H)-one-3,4,6-d3 Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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