Home Nitriles (4-Chloro-phenyl)-oxo-acetonitrile

(4-Chloro-phenyl)-oxo-acetonitrile

CAS No.:
13014-48-7
Catalog Number:
AG000U22
Molecular Formula:
C8H4ClNO
Molecular Weight:
165.5765
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$63
- +
5g
96%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG000U22
Chemical Name:
(4-Chloro-phenyl)-oxo-acetonitrile
CAS Number:
13014-48-7
Molecular Formula:
C8H4ClNO
Molecular Weight:
165.5765
MDL Number:
MFCD06658396
IUPAC Name:
4-chlorobenzoyl cyanide
InChI:
InChI=1S/C8H4ClNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H
InChI Key:
UDBBCXDMJVNFLI-UHFFFAOYSA-N
SMILES:
N#CC(=O)c1ccc(cc1)Cl
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.998g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.576g/mol
Monoisotopic Mass:
164.998g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Quantitative evaluation of the mechanism of electroreduction of benzoyl cyanides. The Journal of organic chemistry 20070119
Properties