Cas no 2891518-68-4 (4-bromo-2-(methoxy-d2)pyridine-3,5,6-d3)
2891518-68-4 structure
Product Name:4-bromo-2-(methoxy-d2)pyridine-3,5,6-d3
CAS No:2891518-68-4
MF:C6H6BrNO
MW:193.052749156952
CID:6827710
PubChem ID:172405404
Update Time:2025-02-15
4-bromo-2-(methoxy-d2)pyridine-3,5,6-d3 Chemical and Physical Properties
Names and Identifiers
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- CS-25989
- 4-bromo-2-(methoxy-d2)pyridine-3,5,6-d3
- 2891518-68-4
-
- Inchi： 1S/C6H6BrNO/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3/i1D2,2D,3D,4D
- InChI Key： YFTGMMXMLPTTAY-RUKHJWSWSA-N
- SMILES： BrC1C([2H])=C([2H])N=C(C=1[2H])OC([2H])[2H]
Computed Properties
- Exact Mass: 191.99466Da
- Monoisotopic Mass: 191.99466Da
- Isotope Atom Count: 5
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 89.1
- 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: 2.1
- Topological Polar Surface Area: 22.1?2
4-bromo-2-(methoxy-d2)pyridine-3,5,6-d3 Related Literature
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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