Cas no 2294950-38-0 (3-bromo-2-fluoro-6-(methyl-d3)pyridine-4,5-d2)
2294950-38-0 structure
Product Name:3-bromo-2-fluoro-6-(methyl-d3)pyridine-4,5-d2
CAS No:2294950-38-0
MF:C6H5BrFN
MW:195.043812513351
CID:6818919
PubChem ID:172402542
Update Time:2025-03-01
3-bromo-2-fluoro-6-(methyl-d3)pyridine-4,5-d2 Chemical and Physical Properties
Names and Identifiers
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- 3-bromo-2-fluoro-6-(methyl-d3)pyridine-4,5-d2
- CS-22247
- 2294950-38-0
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- Inchi： 1S/C6H5BrFN/c1-4-2-3-5(7)6(8)9-4/h2-3H,1H3/i1D3,2D,3D
- InChI Key： ZFXJNYKHLITMJY-RHIBPKLGSA-N
- SMILES： BrC1=C(N=C(C([2H])([2H])[2H])C([2H])=C1[2H])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
3-bromo-2-fluoro-6-(methyl-d3)pyridine-4,5-d2 Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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