Cas no 2891517-48-7 (4-bromo-2-(fluoromethyl)pyrimidine-5,6-d2)
2891517-48-7 structure
Product Name:4-bromo-2-(fluoromethyl)pyrimidine-5,6-d2
CAS No:2891517-48-7
MF:C5H4BrFN2
MW:193.013386726379
CID:6827358
PubChem ID:172405158
Update Time:2025-02-15
4-bromo-2-(fluoromethyl)pyrimidine-5,6-d2 Chemical and Physical Properties
Names and Identifiers
-
- CS-25631
- 4-bromo-2-(fluoromethyl)pyrimidine-5,6-d2
- 2891517-48-7
-
- Inchi： 1S/C5H4BrFN2/c6-4-1-2-8-5(3-7)9-4/h1-2H,3H2/i1D,2D
- InChI Key： XCDGETIJQORXAR-QDNHWIQGSA-N
- SMILES： BrC1=C([2H])C([2H])=NC(CF)=N1
Computed Properties
- Exact Mass: 191.96674Da
- Monoisotopic Mass: 191.96674Da
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 91
- 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: 1.4
- Topological Polar Surface Area: 25.8?2
4-bromo-2-(fluoromethyl)pyrimidine-5,6-d2 Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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