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Home Other Building Blocks 2-Fluorophenethyl alcohol

2-Fluorophenethyl alcohol

CAS No.:
50919-06-7
Catalog Number:
AG003HC2
Molecular Formula:
C8H9FO
Molecular Weight:
140.1549
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$17
- +
25g
98%
In Stock USA
United States
$72
- +
100g
98%
In Stock USA
United States
$269
- +
Product Description
Catalog Number:
AG003HC2
Chemical Name:
2-Fluorophenethyl alcohol
CAS Number:
50919-06-7
Molecular Formula:
C8H9FO
Molecular Weight:
140.1549
MDL Number:
MFCD00002887
IUPAC Name:
2-(2-fluorophenyl)ethanol
InChI:
InChI=1S/C8H9FO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6H2
InChI Key:
HNIGZVZDWCTFPR-UHFFFAOYSA-N
SMILES:
OCCc1ccccc1F
Properties
Complexity:
95.3  
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:
1.6  
Literature
Title Journal
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-analyzed threshold ionization spectroscopy of ortho fluorinated 2-phenylethanol: identification of an additional gauche conformer. The journal of physical chemistry. A 20101028
Competition between pi and sigma hydrogen bonds and conformational probing of 2-orthofluorophenylethanol by low-and high-resolution electronic spectroscopy. The Journal of chemical physics 20090121
Properties