Home Nitriles 2-(3-Chloro-4-fluorophenyl)benzonitrile

2-(3-Chloro-4-fluorophenyl)benzonitrile

CAS No.:
1352318-35-4
Catalog Number:
AG007ZOA
Molecular Formula:
C13H7ClFN
Molecular Weight:
231.6528
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG007ZOA
Chemical Name:
2-(3-Chloro-4-fluorophenyl)benzonitrile
CAS Number:
1352318-35-4
Molecular Formula:
C13H7ClFN
Molecular Weight:
231.6528
MDL Number:
MFCD20529504
IUPAC Name:
2-(3-chloro-4-fluorophenyl)benzonitrile
InChI:
InChI=1S/C13H7ClFN/c14-12-7-9(5-6-13(12)15)11-4-2-1-3-10(11)8-16/h1-7H
InChI Key:
MVUUUJVDXYEMKT-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1c1ccc(c(c1)Cl)F
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.025g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.654g/mol
Monoisotopic Mass:
231.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties