Home Nitriles 3-fluoro-4-(2-fluorophenoxy)benzonitrile

3-fluoro-4-(2-fluorophenoxy)benzonitrile

CAS No.:
1153105-40-8
Catalog Number:
AG019QXW
Molecular Formula:
C13H7F2NO
Molecular Weight:
231.1976
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Product Description
Catalog Number:
AG019QXW
Chemical Name:
3-fluoro-4-(2-fluorophenoxy)benzonitrile
CAS Number:
1153105-40-8
Molecular Formula:
C13H7F2NO
Molecular Weight:
231.1976
MDL Number:
MFCD12110249
IUPAC Name:
3-fluoro-4-(2-fluorophenoxy)benzonitrile
InChI:
InChI=1S/C13H7F2NO/c14-10-3-1-2-4-12(10)17-13-6-5-9(8-16)7-11(13)15/h1-7H
InChI Key:
KRNLPBLXHDMAKU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)F)Oc1ccccc1F
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.05g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.202g/mol
Monoisotopic Mass:
231.05g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties