Home Nitriles 4-(3-Chloro-5-fluorophenyl)-2-fluorobenzonitrile

4-(3-Chloro-5-fluorophenyl)-2-fluorobenzonitrile

CAS No.:
1393442-55-1
Catalog Number:
AG009X0A
Molecular Formula:
C13H6ClF2N
Molecular Weight:
249.6432
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$188
- +
1g
95%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG009X0A
Chemical Name:
4-(3-Chloro-5-fluorophenyl)-2-fluorobenzonitrile
CAS Number:
1393442-55-1
Molecular Formula:
C13H6ClF2N
Molecular Weight:
249.6432
MDL Number:
MFCD22383721
IUPAC Name:
4-(3-chloro-5-fluorophenyl)-2-fluorobenzonitrile
InChI:
InChI=1S/C13H6ClF2N/c14-11-3-10(4-12(15)6-11)8-1-2-9(7-17)13(16)5-8/h1-6H
InChI Key:
MPJNVEFLEXQGET-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1F)c1cc(F)cc(c1)Cl
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.016g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.645g/mol
Monoisotopic Mass:
249.016g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties