Cas no 1026796-62-2 (3-Bromo-2-ethoxy-5-methylphenol)
1026796-62-2 structure
Product Name:3-Bromo-2-ethoxy-5-methylphenol
CAS No:1026796-62-2
MF:C9H11BrO2
MW:231.086442232132
CID:2625842
Update Time:2023-08-07
3-Bromo-2-ethoxy-5-methylphenol Chemical and Physical Properties
Names and Identifiers
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- 3-Bromo-2-ethoxy-5-methylphenol
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- Inchi： 1S/C9H11BrO2/c1-3-12-9-7(10)4-6(2)5-8(9)11/h4-5,11H,3H2,1-2H3
- InChI Key： UBWJZQHWOZDMBS-UHFFFAOYSA-N
- SMILES： BrC1=CC(C)=CC(=C1OCC)O
Computed Properties
- Exact Mass: 229.994
- Monoisotopic Mass: 229.994
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 141
- 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
- Topological Polar Surface Area: 29.5
Experimental Properties
- PSA: 29.46000
- LogP: 2.86180
3-Bromo-2-ethoxy-5-methylphenol Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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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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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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5. 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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