Home Nitriles 3-Fluoro-4-methoxylphenylacetonitrile

3-Fluoro-4-methoxylphenylacetonitrile

CAS No.:
404-90-0
Catalog Number:
AG003JG7
Molecular Formula:
C9H8FNO
Molecular Weight:
165.1643
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>97%
In Stock USA
United States
$108
- +
10g
>97%
In Stock USA
United States
$165
- +
Product Description
Catalog Number:
AG003JG7
Chemical Name:
3-Fluoro-4-methoxylphenylacetonitrile
CAS Number:
404-90-0
Molecular Formula:
C9H8FNO
Molecular Weight:
165.1643
MDL Number:
MFCD00040889
IUPAC Name:
2-(3-fluoro-4-methoxyphenyl)acetonitrile
InChI:
InChI=1S/C9H8FNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4H2,1H3
InChI Key:
OFCMGCZEFVKTAN-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)F)OC
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.167g/mol
Monoisotopic Mass:
165.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties