Cas no 2363783-77-9 (1-(5-bromopyrimidin-2-yl)ethan-1-one-2,2,2-d3)
2363783-77-9 structure
Product Name:1-(5-bromopyrimidin-2-yl)ethan-1-one-2,2,2-d3
CAS No:2363783-77-9
MF:C6H5BrN2O
MW:204.039185285568
CID:6824558
PubChem ID:172401156
Update Time:2025-03-01
1-(5-bromopyrimidin-2-yl)ethan-1-one-2,2,2-d3 Chemical and Physical Properties
Names and Identifiers
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- 2363783-77-9
- CS-22643
- 1-(5-bromopyrimidin-2-yl)ethan-1-one-2,2,2-d3
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- Inchi： 1S/C6H5BrN2O/c1-4(10)6-8-2-5(7)3-9-6/h2-3H,1H3/i1D3
- InChI Key： NZGSEUQFYKCKRU-FIBGUPNXSA-N
- SMILES： BrC1C=NC(C(C([2H])([2H])[2H])=O)=NC=1
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: 132
- 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: 0.9
- Topological Polar Surface Area: 42.9?2
1-(5-bromopyrimidin-2-yl)ethan-1-one-2,2,2-d3 Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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