Home Nitriles 3-Phenoxybenzonitrile

3-Phenoxybenzonitrile

CAS No.:
50789-45-2
Catalog Number:
AG003JV0
Molecular Formula:
C13H9NO
Molecular Weight:
195.2167
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$75
- +
5g
95%
In Stock USA
United States
$188
- +
10g
95%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG003JV0
Chemical Name:
3-Phenoxybenzonitrile
CAS Number:
50789-45-2
Molecular Formula:
C13H9NO
Molecular Weight:
195.2167
MDL Number:
MFCD05669318
IUPAC Name:
3-phenoxybenzonitrile
InChI:
InChI=1S/C13H9NO/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9H
InChI Key:
IBUQEIIFTPFARK-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)Oc1ccccc1
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.068g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.221g/mol
Monoisotopic Mass:
195.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties