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

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

CAS No.:
1183090-50-7
Catalog Number:
AG019PTS
Molecular Formula:
C13H8FNO2
Molecular Weight:
229.2065
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Product Description
Catalog Number:
AG019PTS
Chemical Name:
3-fluoro-4-(2-hydroxyphenoxy)benzonitrile
CAS Number:
1183090-50-7
Molecular Formula:
C13H8FNO2
Molecular Weight:
229.2065
MDL Number:
MFCD13159453
IUPAC Name:
3-fluoro-4-(2-hydroxyphenoxy)benzonitrile
InChI:
InChI=1S/C13H8FNO2/c14-10-7-9(8-15)5-6-12(10)17-13-4-2-1-3-11(13)16/h1-7,16H
InChI Key:
OCEOHJLRTQYDSB-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)F)Oc1ccccc1O
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.054g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.21g/mol
Monoisotopic Mass:
229.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties