Cas no 671779-14-9 (Phenol, 2-bromo-4-ethoxy- (5CI))
671779-14-9 structure
Product Name:Phenol, 2-bromo-4-ethoxy- (5CI)
CAS No:671779-14-9
MF:C8H9BrO2
MW:217.059861898422
CID:965477
Update Time:2024-03-05
Phenol, 2-bromo-4-ethoxy- (5CI) Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-bromo-4-ethoxy- (5CI)
- 2-bromo-4-ethoxyPhenol
- Phenol, 2-bromo-4-ethoxy-
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- Inchi： 1S/C8H9BrO2/c1-2-11-6-3-4-8(10)7(9)5-6/h3-5,10H,2H2,1H3
- InChI Key： JBCANXYKSOGQMO-UHFFFAOYSA-N
- SMILES： C1(O)=CC=C(OCC)C=C1Br
Computed Properties
- Exact Mass: 215.979
- Monoisotopic Mass: 215.979
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 119
- 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: 2.9
- Topological Polar Surface Area: 29.5A^2
Experimental Properties
- Density: 1.501±0.06 g/cm3(Predicted)
- Boiling Point: 261.6±20.0 °C(Predicted)
- pka: 8.96±0.18(Predicted)
Phenol, 2-bromo-4-ethoxy- (5CI) Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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