Cas no 2645412-21-9 (2-bromo-4-fluoro-6-(methyl-d3)pyridine-3,5-d2)
2645412-21-9 structure
Product Name:2-bromo-4-fluoro-6-(methyl-d3)pyridine-3,5-d2
CAS No:2645412-21-9
MF:C6H5BrFN
MW:195.043812513351
CID:6826213
PubChem ID:172404124
Update Time:2025-02-26
2-bromo-4-fluoro-6-(methyl-d3)pyridine-3,5-d2 Chemical and Physical Properties
Names and Identifiers
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- 2-bromo-4-fluoro-6-(methyl-d3)pyridine-3,5-d2
- CS-24369
- 2645412-21-9
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- Inchi： 1S/C6H5BrFN/c1-4-2-5(8)3-6(7)9-4/h2-3H,1H3/i1D3,2D,3D
- InChI Key： BVBQSTGKZYMQJL-RHIBPKLGSA-N
- SMILES： BrC1=C([2H])C(=C([2H])C(C([2H])([2H])[2H])=N1)F
Computed Properties
- Exact Mass: 193.99032Da
- Monoisotopic Mass: 193.99032Da
- Isotope Atom Count: 5
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 99.1
- 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: 2.4
- Topological Polar Surface Area: 12.9?2
2-bromo-4-fluoro-6-(methyl-d3)pyridine-3,5-d2 Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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3. 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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4. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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