Cas no 1643542-06-6 (5-Bromo-2-chloro-4-(ethyl-d5)-pyrimidine)
1643542-06-6 structure
Product Name:5-Bromo-2-chloro-4-(ethyl-d5)-pyrimidine
CAS No:1643542-06-6
MF:C6H6BrClN2
MW:226.51304769516
CID:6810953
PubChem ID:133552643
Update Time:2025-03-06
5-Bromo-2-chloro-4-(ethyl-d5)-pyrimidine Chemical and Physical Properties
Names and Identifiers
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- 5-Bromo-2-chloro-4-(ethyl-d5)-pyrimidine
- 1643542-06-6
- CS-18606
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- Inchi: 1S/C6H6BrClN2/c1-2-5-4(7)3-9-6(8)10-5/h3H,2H2,1H3/i1D3,2D2
- InChI Key: LXSSTXFGZLTAAU-ZBJDZAJPSA-N
- SMILES: BrC1=CN=C(N=C1C([2H])([2H])C([2H])([2H])[2H])Cl
Computed Properties
- Exact Mass: 224.97167Da
- Monoisotopic Mass: 224.97167Da
- Isotope Atom Count: 5
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 112
- 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: 2.7
- Topological Polar Surface Area: 25.8?2
5-Bromo-2-chloro-4-(ethyl-d5)-pyrimidine Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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