Cas no 2891517-88-5 (4-bromo-2-(1,1-difluoroethyl-2,2,2-d3)pyrimidine-5,6-d2)
2891517-88-5 structure
Product Name:4-bromo-2-(1,1-difluoroethyl-2,2,2-d3)pyrimidine-5,6-d2
CAS No:2891517-88-5
MF:C6H5BrF2N2
MW:228.048915624619
CID:6827550
PubChem ID:172405303
Update Time:2025-02-15
4-bromo-2-(1,1-difluoroethyl-2,2,2-d3)pyrimidine-5,6-d2 Chemical and Physical Properties
Names and Identifiers
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- 2891517-88-5
- CS-25825
- 4-bromo-2-(1,1-difluoroethyl-2,2,2-d3)pyrimidine-5,6-d2
-
- Inchi： 1S/C6H5BrF2N2/c1-6(8,9)5-10-3-2-4(7)11-5/h2-3H,1H3/i1D3,2D,3D
- InChI Key： RBUUXZRDKQWJSF-RHIBPKLGSA-N
- SMILES： BrC1=C([2H])C([2H])=NC(C(C([2H])([2H])[2H])(F)F)=N1
Computed Properties
- Exact Mass: 226.99180Da
- Monoisotopic Mass: 226.99180Da
- Isotope Atom Count: 5
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 143
- 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: 2.1
- Topological Polar Surface Area: 25.8?2
4-bromo-2-(1,1-difluoroethyl-2,2,2-d3)pyrimidine-5,6-d2 Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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