Cas no 1643577-55-2 (5-Bromo-2-chloro-4-(iso-propyl-d7)-pyrimidine)
1643577-55-2 structure
Product Name:5-Bromo-2-chloro-4-(iso-propyl-d7)-pyrimidine
CAS No:1643577-55-2
MF:C7H8BrClN2
MW:242.551951408386
CID:6810955
PubChem ID:133550927
Update Time:2025-03-06
5-Bromo-2-chloro-4-(iso-propyl-d7)-pyrimidine Chemical and Physical Properties
Names and Identifiers
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- 1643577-55-2
- CS-18607
- 5-Bromo-2-chloro-4-(iso-propyl-d7)-pyrimidine
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- Inchi： 1S/C7H8BrClN2/c1-4(2)6-5(8)3-10-7(9)11-6/h3-4H,1-2H3/i1D3,2D3,4D
- InChI Key： JVKPOOHUYQFTFR-UAVYNJCWSA-N
- SMILES： BrC1=CN=C(N=C1C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])Cl
Computed Properties
- Exact Mass: 240.99988Da
- Monoisotopic Mass: 240.99988Da
- Isotope Atom Count: 7
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- 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: 3
- Topological Polar Surface Area: 25.8?2
5-Bromo-2-chloro-4-(iso-propyl-d7)-pyrimidine Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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