Home Nitriles 4-Isobutyloxy-1,3-benzenedicarbonitrile

4-Isobutyloxy-1,3-benzenedicarbonitrile

CAS No.:
161718-81-6
Catalog Number:
AG001VTR
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%(HPLC)
In Stock USA
United States
$254
- +
1g
98%(HPLC)
In Stock USA
United States
$700
- +
Product Description
Catalog Number:
AG001VTR
Chemical Name:
4-Isobutyloxy-1,3-benzenedicarbonitrile
CAS Number:
161718-81-6
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD13185905
IUPAC Name:
4-(2-methylpropoxy)benzene-1,3-dicarbonitrile
InChI:
InChI=1S/C12H12N2O/c1-9(2)8-15-12-4-3-10(6-13)5-11(12)7-14/h3-5,9H,8H2,1-2H3
InChI Key:
CTQZRQNRVCZKOE-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C#N)ccc1OCC(C)C
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties