Cas no 2241865-95-0 (4-bromo-6-(methyl-d3)pyrimidine-2,5-d2)
2241865-95-0 structure
Product Name:4-bromo-6-(methyl-d3)pyrimidine-2,5-d2
CAS No:2241865-95-0
MF:C5H5BrN2
MW:178.0414083004
CID:6825943
PubChem ID:172402959
Update Time:2025-03-03
4-bromo-6-(methyl-d3)pyrimidine-2,5-d2 Chemical and Physical Properties
Names and Identifiers
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- 2241865-95-0
- 4-bromo-6-(methyl-d3)pyrimidine-2,5-d2
- CS-24102
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- Inchi： 1S/C5H5BrN2/c1-4-2-5(6)8-3-7-4/h2-3H,1H3/i1D3,2D,3D
- InChI Key： GBPCCNWUSHSRTM-RHIBPKLGSA-N
- SMILES： BrC1=C([2H])C(C([2H])([2H])[2H])=NC([2H])=N1
Computed Properties
- Exact Mass: 176.99499Da
- Monoisotopic Mass: 176.99499Da
- Isotope Atom Count: 5
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 76.8
- 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: 1.6
- Topological Polar Surface Area: 25.8?2
4-bromo-6-(methyl-d3)pyrimidine-2,5-d2 Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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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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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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