Home Nitriles 4-Chloro-3-methylbenzonitrile

4-Chloro-3-methylbenzonitrile

CAS No.:
4387-31-9
Catalog Number:
AG00DAGA
Molecular Formula:
C8H6ClN
Molecular Weight:
151.5929
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$25
- +
5g
98%
In Stock USA
United States
$75
- +
10g
98%
In Stock USA
United States
$125
- +
25g
98%
In Stock USA
United States
$244
- +
Product Description
Catalog Number:
AG00DAGA
Chemical Name:
4-Chloro-3-methylbenzonitrile
CAS Number:
4387-31-9
Molecular Formula:
C8H6ClN
Molecular Weight:
151.5929
MDL Number:
MFCD03452793
IUPAC Name:
4-chloro-3-methylbenzonitrile
InChI:
InChI=1S/C8H6ClN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,1H3
InChI Key:
SQISNVXBYZWWBC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C)Cl
EC Number:
610-155-1
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:
3.2  
Properties