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Home Nitriles 2-Iodophenylacetonitrile

2-Iodophenylacetonitrile

CAS No.:
40400-15-5
Catalog Number:
AG003HGZ
Molecular Formula:
C8H6IN
Molecular Weight:
243.0444
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$46
- +
5g
95%
In Stock USA
United States
$90
- +
25g
95%
In Stock USA
United States
$303
- +
Product Description
Catalog Number:
AG003HGZ
Chemical Name:
2-Iodophenylacetonitrile
CAS Number:
40400-15-5
Molecular Formula:
C8H6IN
Molecular Weight:
243.0444
MDL Number:
MFCD00040888
IUPAC Name:
2-(2-iodophenyl)acetonitrile
InChI:
InChI=1S/C8H6IN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2
InChI Key:
FPSGTRJUQLYLHE-UHFFFAOYSA-N
SMILES:
N#CCc1ccccc1I
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.954g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.047g/mol
Monoisotopic Mass:
242.954g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Carbopalladation of nitriles: synthesis of 3,4-disubstituted 2-aminonaphthalenes and 1,3-benzoxazine derivatives by the palladium-catalyzed annulation of alkynes by (2-Iodophenyl)acetonitrile. The Journal of organic chemistry 20030124
Properties