Home Nitriles 4-Dodecyloxyphthalonitrile

4-Dodecyloxyphthalonitrile

CAS No.:
161082-75-3
Catalog Number:
AG001VMG
Molecular Formula:
C20H28N2O
Molecular Weight:
312.4491
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>99.0%(GC)
1 week
United States
$200
- +
5g
>99.0%(GC)
1 week
United States
$502
- +
Product Description
Catalog Number:
AG001VMG
Chemical Name:
4-Dodecyloxyphthalonitrile
CAS Number:
161082-75-3
Molecular Formula:
C20H28N2O
Molecular Weight:
312.4491
MDL Number:
MFCD10567173
IUPAC Name:
4-dodecoxybenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C20H28N2O/c1-2-3-4-5-6-7-8-9-10-11-14-23-20-13-12-18(16-21)19(15-20)17-22/h12-13,15H,2-11,14H2,1H3
InChI Key:
SWVGQFFVXRAJRQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1ccc(c(c1)C#N)C#N
Properties
Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.22g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.457g/mol
Monoisotopic Mass:
312.22g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9  
Properties