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Home Other Building Blocks 1-(4-Fluorophenyl)ethanol

1-(4-Fluorophenyl)ethanol

CAS No.:
403-41-8
Catalog Number:
AG003CZO
Molecular Formula:
C8H9FO
Molecular Weight:
140.1549
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$19
- +
25g
98%
In Stock USA
United States
$50
- +
100g
98%
In Stock USA
United States
$150
- +
500g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG003CZO
Chemical Name:
1-(4-Fluorophenyl)ethanol
CAS Number:
403-41-8
Molecular Formula:
C8H9FO
Molecular Weight:
140.1549
MDL Number:
MFCD00004515
IUPAC Name:
1-(4-fluorophenyl)ethanol
InChI:
InChI=1S/C8H9FO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3
InChI Key:
PSDSORRYQPTKSV-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)F)O
EC Number:
206-959-3
NSC Number:
2983
Properties
Complexity:
97.4  
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:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
A hybrid mechanism in chiral discrimination induced by crystallization of supramolecular compounds. The journal of physical chemistry. B 20120524
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
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Conformational landscape of supersonically expanded 1-(fluorophenyl)ethanols and their monohydrated clusters. Chemphyschem : a European journal of chemical physics and physical chemistry 20090803
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
Mechanism of ruthenium-catalyzed hydrogen transfer reactions. Concerted transfer of OH and CH hydrogens from an alcohol to a (Cyclopentadienone)ruthenium complex. The Journal of organic chemistry 20031003
Properties