Home Nitriles 3-Chloro-5-methylbenzonitrile

3-Chloro-5-methylbenzonitrile

CAS No.:
189161-09-9
Catalog Number:
AG002HYL
Molecular Formula:
C8H6ClN
Molecular Weight:
151.5929
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$63
- +
5g
97%
In Stock USA
United States
$188
- +
10g
97%
In Stock USA
United States
$313
- +
25g
97%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG002HYL
Chemical Name:
3-Chloro-5-methylbenzonitrile
CAS Number:
189161-09-9
Molecular Formula:
C8H6ClN
Molecular Weight:
151.5929
MDL Number:
MFCD09800704
IUPAC Name:
3-chloro-5-methylbenzonitrile
InChI:
InChI=1S/C8H6ClN/c1-6-2-7(5-10)4-8(9)3-6/h2-4H,1H3
InChI Key:
VQMCGWDQAVDACL-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)cc(c1)Cl
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.019g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.593g/mol
Monoisotopic Mass:
151.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Cyanation of arenes via iridium-catalyzed borylation. Journal of the American Chemical Society 20100825
Properties