Home Nitriles 4-(4-Chloro-3-fluorophenoxy)benzenecarbonitrile

4-(4-Chloro-3-fluorophenoxy)benzenecarbonitrile

CAS No.:
449778-68-1
Catalog Number:
AG00DG4S
Molecular Formula:
C13H7ClFNO
Molecular Weight:
247.6522
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$92
- +
1g
1 week
United States
$166
- +
Product Description
Catalog Number:
AG00DG4S
Chemical Name:
4-(4-Chloro-3-fluorophenoxy)benzenecarbonitrile
CAS Number:
449778-68-1
Molecular Formula:
C13H7ClFNO
Molecular Weight:
247.6522
MDL Number:
MFCD01815095
IUPAC Name:
4-(4-chloro-3-fluorophenoxy)benzonitrile
InChI:
InChI=1S/C13H7ClFNO/c14-12-6-5-11(7-13(12)15)17-10-3-1-9(8-16)2-4-10/h1-7H
InChI Key:
VZVAOBRUMZRTMM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Oc1ccc(c(c1)F)Cl
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.02g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.653g/mol
Monoisotopic Mass:
247.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties