Home Nitriles Benzonitrile, 2-fluoro-6-(4-fluorophenoxy)-

Benzonitrile, 2-fluoro-6-(4-fluorophenoxy)-

CAS No.:
175204-07-6
Catalog Number:
AG0020KF
Molecular Formula:
C13H7F2NO
Molecular Weight:
231.1976
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Product Description
Catalog Number:
AG0020KF
Chemical Name:
Benzonitrile, 2-fluoro-6-(4-fluorophenoxy)-
CAS Number:
175204-07-6
Molecular Formula:
C13H7F2NO
Molecular Weight:
231.1976
MDL Number:
MFCD00068202
IUPAC Name:
2-fluoro-6-(4-fluorophenoxy)benzonitrile
InChI:
InChI=1S/C13H7F2NO/c14-9-4-6-10(7-5-9)17-13-3-1-2-12(15)11(13)8-16/h1-7H
InChI Key:
NOPNZSQHYZPSSX-UHFFFAOYSA-N
SMILES:
N#Cc1c(cccc1F)Oc1ccc(cc1)F
Properties
Complexity:
293  
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