Cas no 2363783-12-2 (1-(4-bromopyrimidin-2-yl)ethan-1-one-2,2,2-d3)
2363783-12-2 structure
Product Name:1-(4-bromopyrimidin-2-yl)ethan-1-one-2,2,2-d3
CAS No:2363783-12-2
MF:C6H5BrN2O
MW:204.039185285568
CID:6824562
PubChem ID:172406074
Update Time:2025-03-01
1-(4-bromopyrimidin-2-yl)ethan-1-one-2,2,2-d3 Chemical and Physical Properties
Names and Identifiers
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- 2363783-12-2
- 1-(4-bromopyrimidin-2-yl)ethan-1-one-2,2,2-d3
- CS-22647
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- Inchi： 1S/C6H5BrN2O/c1-4(10)6-8-3-2-5(7)9-6/h2-3H,1H3/i1D3
- InChI Key： YIXZCLFHFDRVPG-FIBGUPNXSA-N
- SMILES： BrC1=CC=NC(C(C([2H])([2H])[2H])=O)=N1
Computed Properties
- Exact Mass: 202.97736Da
- Monoisotopic Mass: 202.97736Da
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 140
- 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: 1.2
- Topological Polar Surface Area: 42.9?2
1-(4-bromopyrimidin-2-yl)ethan-1-one-2,2,2-d3 Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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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