Home Other Building Blocks 2-(2-CYANO-3-FLUOROPHENYL)-2-(3,4-DIMETHOXYPHENYL)ACETONITRIL

2-(2-CYANO-3-FLUOROPHENYL)-2-(3,4-DIMETHOXYPHENYL)ACETONITRIL

CAS No.:
339012-94-1
Catalog Number:
AG00CS11
Molecular Formula:
C17H13FN2O2
Molecular Weight:
296.2957
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00CS11
Chemical Name:
2-(2-CYANO-3-FLUOROPHENYL)-2-(3,4-DIMETHOXYPHENYL)ACETONITRIL
CAS Number:
339012-94-1
Molecular Formula:
C17H13FN2O2
Molecular Weight:
296.2957
MDL Number:
MFCD00231998
IUPAC Name:
2-[cyano-(3,4-dimethoxyphenyl)methyl]-6-fluorobenzonitrile
InChI:
InChI=1S/C17H13FN2O2/c1-21-16-7-6-11(8-17(16)22-2)13(9-19)12-4-3-5-15(18)14(12)10-20/h3-8,13H,1-2H3
InChI Key:
KXMBKWZKMWJTRI-UHFFFAOYSA-N
SMILES:
N#CC(c1cccc(c1C#N)F)c1ccc(c(c1)OC)OC
Properties
Complexity:
466  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.096g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.301g/mol
Monoisotopic Mass:
296.096g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties