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Home Nitriles 4-Fluorophenylacetonitrile

4-Fluorophenylacetonitrile

CAS No.:
459-22-3
Catalog Number:
AG003LG2
Molecular Formula:
C8H6FN
Molecular Weight:
135.1383
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%
In Stock USA
United States
$32
- +
100g
98%
In Stock USA
United States
$100
- +
500g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG003LG2
Chemical Name:
4-Fluorophenylacetonitrile
CAS Number:
459-22-3
Molecular Formula:
C8H6FN
Molecular Weight:
135.1383
MDL Number:
MFCD00001917
IUPAC Name:
2-(4-fluorophenyl)acetonitrile
InChI:
InChI=1S/C8H6FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2
InChI Key:
JHQBLYITVCBGTO-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)F
EC Number:
207-286-8
NSC Number:
60739
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.048g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.141g/mol
Monoisotopic Mass:
135.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
4-[5-Amino-4-(4-fluoro-phen-yl)-3-(pyridin-4-yl)-1H-pyrazol-1-yl]benzo-nitrile. Acta crystallographica. Section E, Structure reports online 20120401
4-(4-Fluoro-phen-yl)-1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-5-amine. Acta crystallographica. Section E, Structure reports online 20120301
4-(4-Fluoro-phen-yl)-1-(4-nitro-phen-yl)-3-(pyridin-4-yl)-1H-pyrazol-5-amine. Acta crystallographica. Section E, Structure reports online 20120301
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties