Cas no 2256714-56-2 (4-bromo-2-(methoxy-d3)-1-(methyl-d3)benzene-3,5,6-d3)
2256714-56-2 structure
Product Name:4-bromo-2-(methoxy-d3)-1-(methyl-d3)benzene-3,5,6-d3
CAS No:2256714-56-2
MF:C8H9BrO
MW:210.115916967392
CID:6826159
PubChem ID:172404105
Update Time:2025-03-02
4-bromo-2-(methoxy-d3)-1-(methyl-d3)benzene-3,5,6-d3 Chemical and Physical Properties
Names and Identifiers
-
- 4-bromo-2-(methoxy-d3)-1-(methyl-d3)benzene-3,5,6-d3
- 2256714-56-2
- CS-24329
-
- Inchi： 1S/C8H9BrO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,1-2H3/i1D3,2D3,3D,4D,5D
- InChI Key： RAQYGVDRDNKTOM-XVGWXEQOSA-N
- SMILES： BrC1C([2H])=C([2H])C(C([2H])([2H])[2H])=C(C=1[2H])OC([2H])([2H])[2H]
Computed Properties
- Exact Mass: 209.04017Da
- Monoisotopic Mass: 209.04017Da
- Isotope Atom Count: 9
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 105
- 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: 3.5
- Topological Polar Surface Area: 9.2?2
4-bromo-2-(methoxy-d3)-1-(methyl-d3)benzene-3,5,6-d3 Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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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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