Home Nitriles 4-Chlorophenoxyacetonitrile

4-Chlorophenoxyacetonitrile

CAS No.:
3598-13-8
Catalog Number:
AG003B2A
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
97%
In Stock USA
United States
$43
- +
100g
97%
In Stock USA
United States
$125
- +
500g
97%
In Stock USA
United States
$457
- +
Product Description
Catalog Number:
AG003B2A
Chemical Name:
4-Chlorophenoxyacetonitrile
CAS Number:
3598-13-8
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
MDL Number:
MFCD00031535
IUPAC Name:
2-(4-chlorophenoxy)acetonitrile
InChI:
InChI=1S/C8H6ClNO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,6H2
InChI Key:
YUGDKEWUYZXXRU-UHFFFAOYSA-N
SMILES:
N#CCOc1ccc(cc1)Cl
NSC Number:
204123
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.014g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.592g/mol
Monoisotopic Mass:
167.014g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties