Home Nitriles 4-Phenoxybenzonitrile

4-Phenoxybenzonitrile

CAS No.:
3096-81-9
Catalog Number:
AG0031RZ
Molecular Formula:
C13H9NO
Molecular Weight:
195.2167
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$32
- +
25g
98%
In Stock USA
United States
$100
- +
100g
98%
In Stock USA
United States
$275
- +
Product Description
Catalog Number:
AG0031RZ
Chemical Name:
4-Phenoxybenzonitrile
CAS Number:
3096-81-9
Molecular Formula:
C13H9NO
Molecular Weight:
195.2167
MDL Number:
MFCD00017346
IUPAC Name:
4-phenoxybenzonitrile
InChI:
InChI=1S/C13H9NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H
InChI Key:
UYHCIOZMFCLUDP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Oc1ccccc1
Properties
Complexity:
228  
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:
3.4  
Properties