Home Nitriles 3-Chloro-4-methylbenzonitrile

3-Chloro-4-methylbenzonitrile

CAS No.:
21423-81-4
Catalog Number:
AG0033NU
Molecular Formula:
C8H6ClN
Molecular Weight:
151.5929
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$24
- +
5g
95%
In Stock USA
United States
$54
- +
Product Description
Catalog Number:
AG0033NU
Chemical Name:
3-Chloro-4-methylbenzonitrile
CAS Number:
21423-81-4
Molecular Formula:
C8H6ClN
Molecular Weight:
151.5929
MDL Number:
MFCD00001799
IUPAC Name:
3-chloro-4-methylbenzonitrile
InChI:
InChI=1S/C8H6ClN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3
InChI Key:
INEMHABDFCKBID-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)Cl)C
EC Number:
244-381-3
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:
3.3  
Literature
Title Journal
The 4-(3-chloro-4-methyl-phen-yl)-1,2,3,5-dithia-diazol-3-yl radical. Acta crystallographica. Section E, Structure reports online 20110901
Properties