Cas no 2256714-60-8 (4-bromo-1-(methoxy-d3)-2-(methyl-d3)benzene-3,5,6-d3)
2256714-60-8 structure
Product Name:4-bromo-1-(methoxy-d3)-2-(methyl-d3)benzene-3,5,6-d3
CAS No:2256714-60-8
MF:C8H9BrO
MW:210.115916967392
CID:6826221
PubChem ID:172406604
Update Time:2025-03-02
4-bromo-1-(methoxy-d3)-2-(methyl-d3)benzene-3,5,6-d3 Chemical and Physical Properties
Names and Identifiers
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- CS-24377
- 2256714-60-8
- 4-bromo-1-(methoxy-d3)-2-(methyl-d3)benzene-3,5,6-d3
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- Inchi： 1S/C8H9BrO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H3/i1D3,2D3,3D,4D,5D
- InChI Key： UDLRGQOHGYWLCS-XVGWXEQOSA-N
- SMILES： BrC1C([2H])=C([2H])C(=C(C([2H])([2H])[2H])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-1-(methoxy-d3)-2-(methyl-d3)benzene-3,5,6-d3 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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2. 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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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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