Home Nitriles 2-ethoxy-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetonitrile

2-ethoxy-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetonitrile

CAS No.:
1521547-67-0
Catalog Number:
AG01BB6X
Molecular Formula:
C11H9F4NO
Molecular Weight:
247.1889
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Product Description
Catalog Number:
AG01BB6X
Chemical Name:
2-ethoxy-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetonitrile
CAS Number:
1521547-67-0
Molecular Formula:
C11H9F4NO
Molecular Weight:
247.1889
MDL Number:
MFCD25643571
IUPAC Name:
2-ethoxy-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetonitrile
InChI:
InChI=1S/C11H9F4NO/c1-2-17-10(6-16)8-4-3-7(12)5-9(8)11(13,14)15/h3-5,10H,2H2,1H3
InChI Key:
IFNMVGVDNCMEHJ-UHFFFAOYSA-N
SMILES:
CCOC(c1ccc(cc1C(F)(F)F)F)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:
247.062g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.193g/mol
Monoisotopic Mass:
247.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties