Home Nitriles 2-[4-(difluoromethoxy)-3-ethoxyphenyl]acetonitrile

2-[4-(difluoromethoxy)-3-ethoxyphenyl]acetonitrile

CAS No.:
1193389-10-4
Catalog Number:
AG019W4M
Molecular Formula:
C11H11F2NO2
Molecular Weight:
227.2073
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019W4M
Chemical Name:
2-[4-(difluoromethoxy)-3-ethoxyphenyl]acetonitrile
CAS Number:
1193389-10-4
Molecular Formula:
C11H11F2NO2
Molecular Weight:
227.2073
MDL Number:
MFCD12912861
IUPAC Name:
2-[4-(difluoromethoxy)-3-ethoxyphenyl]acetonitrile
InChI:
InChI=1S/C11H11F2NO2/c1-2-15-10-7-8(5-6-14)3-4-9(10)16-11(12)13/h3-4,7,11H,2,5H2,1H3
InChI Key:
SJVDSXRKXPLEHW-UHFFFAOYSA-N
SMILES:
CCOc1cc(CC#N)ccc1OC(F)F
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.076g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.211g/mol
Monoisotopic Mass:
227.076g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties