Home Nitriles 3-Chloro-4-fluorophenylacetonitrile

3-Chloro-4-fluorophenylacetonitrile

CAS No.:
658-98-0
Catalog Number:
AG003J82
Molecular Formula:
C8H5ClFN
Molecular Weight:
169.5834
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$14
- +
5g
98%
In Stock USA
United States
$37
- +
25g
98%
In Stock USA
United States
$119
- +
100g
98%
In Stock USA
United States
$363
- +
Product Description
Catalog Number:
AG003J82
Chemical Name:
3-Chloro-4-fluorophenylacetonitrile
CAS Number:
658-98-0
Molecular Formula:
C8H5ClFN
Molecular Weight:
169.5834
MDL Number:
MFCD00016350
IUPAC Name:
2-(3-chloro-4-fluorophenyl)acetonitrile
InChI:
InChI=1S/C8H5ClFN/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,5H,3H2
InChI Key:
GAUHFGRZXPVMQD-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)Cl)F
Properties
Complexity:
174  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties