Home Nitriles 4-(4-hydroxyphenoxy)benzonitrile

4-(4-hydroxyphenoxy)benzonitrile

CAS No.:
63555-08-8
Catalog Number:
AG019TNK
Molecular Formula:
C13H9NO2
Molecular Weight:
211.2161
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Product Description
Catalog Number:
AG019TNK
Chemical Name:
4-(4-hydroxyphenoxy)benzonitrile
CAS Number:
63555-08-8
Molecular Formula:
C13H9NO2
Molecular Weight:
211.2161
MDL Number:
MFCD01360182
IUPAC Name:
4-(4-hydroxyphenoxy)benzonitrile
InChI:
InChI=1S/C13H9NO2/c14-9-10-1-5-12(6-2-10)16-13-7-3-11(15)4-8-13/h1-8,15H
InChI Key:
VAOVNHCRRUOGON-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Oc1ccc(cc1)O
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.063g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.22g/mol
Monoisotopic Mass:
211.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties