Cas no 111995-27-8 (1-(2-Bromothiophen-3-yl)ethanol)
111995-27-8 structure
Product Name:1-(2-Bromothiophen-3-yl)ethanol
CAS No:111995-27-8
MF:C6H7BrOS
MW:207.088179826736
CID:2133210
PubChem ID:23050267
Update Time:2024-03-01
1-(2-Bromothiophen-3-yl)ethanol Chemical and Physical Properties
Names and Identifiers
-
- 1-(2-bromothiophen-3-yl)ethanol
- CIWMDDFULBAXQG-UHFFFAOYSA-N
- 2-Bromo-3-(l-hydroxyethyl)thiophene
- 3-Thiophenemethanol, 2-bromo-alpha-methyl-
- 1-(2-Bromothiophen-3-yl)ethanol
-
- Inchi： 1S/C6H7BrOS/c1-4(8)5-2-3-9-6(5)7/h2-4,8H,1H3
- InChI Key： CIWMDDFULBAXQG-UHFFFAOYSA-N
- SMILES： BrC1=C(C=CS1)C(C)O
Computed Properties
- Exact Mass: 205.94010g/mol
- Monoisotopic Mass: 205.94010g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 99.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 48.5
- XLogP3: 2.1
1-(2-Bromothiophen-3-yl)ethanol Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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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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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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