Home Nitriles 4-N-Pentyloxyphthalonitrile

4-N-Pentyloxyphthalonitrile

CAS No.:
106943-83-3
Catalog Number:
AG003LXI
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(GC)
1 week
United States
$202
- +
5g
>98.0%(GC)
1 week
United States
$519
- +
Product Description
Catalog Number:
AG003LXI
Chemical Name:
4-N-Pentyloxyphthalonitrile
CAS Number:
106943-83-3
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
MDL Number:
MFCD00059103
IUPAC Name:
4-pentoxybenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C13H14N2O/c1-2-3-4-7-16-13-6-5-11(9-14)12(8-13)10-15/h5-6,8H,2-4,7H2,1H3
InChI Key:
LEYRHJFOAFEIDH-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(c(c1)C#N)C#N
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties