Home Nitriles 2-Chloro-4-fluoro-3-methylbenzonitrile

2-Chloro-4-fluoro-3-methylbenzonitrile

CAS No.:
796600-15-2
Catalog Number:
AG0038F9
Molecular Formula:
C8H5ClFN
Molecular Weight:
169.5834
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$32
- +
5g
98%
In Stock USA
United States
$100
- +
10g
98%
In Stock USA
United States
$163
- +
25g
95%
In Stock USA
United States
$325
- +
Product Description
Catalog Number:
AG0038F9
Chemical Name:
2-Chloro-4-fluoro-3-methylbenzonitrile
CAS Number:
796600-15-2
Molecular Formula:
C8H5ClFN
Molecular Weight:
169.5834
MDL Number:
MFCD13193544
IUPAC Name:
2-chloro-4-fluoro-3-methylbenzonitrile
InChI:
InChI=1S/C8H5ClFN/c1-5-7(10)3-2-6(4-11)8(5)9/h2-3H,1H3
InChI Key:
IOKBJSAKTZEMBR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1Cl)C)F
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.009g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.583g/mol
Monoisotopic Mass:
169.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties