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7589-27-7 | 2-(4-Fluorophenyl)ethanol
CAS No: 7589-27-7 Catalog No: AG003EWC MDL No:MFCD00002898
Product Description
Catalog Number:
AG003EWC
Chemical Name:
2-(4-Fluorophenyl)ethanol
CAS Number:
7589-27-7
Molecular Formula:
C8H9FO
Molecular Weight:
140.1549
MDL Number:
MFCD00002898
IUPAC Name:
2-(4-fluorophenyl)ethanol
InChI:
InChI=1S/C8H9FO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2
InChI Key:
MWUVGXCUHWKQJE-UHFFFAOYSA-N
SMILES:
OCCc1ccc(cc1)F
EC Number:
231-499-5
Properties
Complexity:
87.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.064g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.157g/mol
Monoisotopic Mass:
140.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Chiral recognition between 1-(4-fluorophenyl)ethanol and 2-butanol: higher binding energy of homochiral complexes in the gas phase. | Physical chemistry chemical physics : PCCP 20110121 |
| Water binding sites in 2-para- and 2-ortho-fluorophenylethanol: a high-resolution UV experiment and ab initio calculations. | The Journal of chemical physics 20101121 |
| Mass analysed threshold ionisation spectroscopy of flexible 2-para-fluorophenylethanol conformers with and without an intramolecular OH...pi bond. | Physical chemistry chemical physics : PCCP 20090407 |
| Fluorine substitution and nonconventional OH...pi intramolecular bond: high-resolution UV spectroscopy and ab initio calculations of 2-(p-fluorophenyl)ethanol. | Physical chemistry chemical physics : PCCP 20080521 |
| Synthesis and application of mono-6-(3-methylimidazolium)-6-deoxyperphenylcarbamoyl-beta-cyclodextrin chloride as chiral stationary phases for high-performance liquid chromatography and supercritical fluid chromatography. | Journal of chromatography. A 20080222 |
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