Home Nitriles 2-Chloro-2-fluoro-2-phenylacetonitrile

2-Chloro-2-fluoro-2-phenylacetonitrile

CAS No.:
948014-31-1
Catalog Number:
AG00IIJJ
Molecular Formula:
C8H5ClFN
Molecular Weight:
169.5834
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$107
- +
1g
95%
In Stock USA
United States
$213
- +
5g
95%
In Stock USA
United States
$888
- +
Product Description
Catalog Number:
AG00IIJJ
Chemical Name:
2-Chloro-2-fluoro-2-phenylacetonitrile
CAS Number:
948014-31-1
Molecular Formula:
C8H5ClFN
Molecular Weight:
169.5834
MDL Number:
MFCD09258967
IUPAC Name:
2-chloro-2-fluoro-2-phenylacetonitrile
InChI:
InChI=1S/C8H5ClFN/c9-8(10,6-11)7-4-2-1-3-5-7/h1-5H
InChI Key:
AJTCKIAIYHDWLF-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1)(Cl)F
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.009g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.583g/mol
Monoisotopic Mass:
169.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Metalated nitrile and enolate chlorinations. Organic letters 20100618
Properties