Home Nitriles 3-Oxo-3-[2-(trifluoromethoxy)phenyl]propanenitrile, 3-Oxo-3-[2-(trifluoromethoxy)phenyl]propionitrile

3-Oxo-3-[2-(trifluoromethoxy)phenyl]propanenitrile, 3-Oxo-3-[2-(trifluoromethoxy)phenyl]propionitrile

CAS No.:
914636-80-9
Catalog Number:
AG00H32G
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00H32G
Chemical Name:
3-Oxo-3-[2-(trifluoromethoxy)phenyl]propanenitrile, 3-Oxo-3-[2-(trifluoromethoxy)phenyl]propionitrile
CAS Number:
914636-80-9
MDL Number:
MFCD08458117
IUPAC Name:
3-oxo-3-[2-(trifluoromethoxy)phenyl]propanenitrile
InChI:
InChI=1S/C10H6F3NO2/c11-10(12,13)16-9-4-2-1-3-7(9)8(15)5-6-14/h1-4H,5H2
InChI Key:
OQOKGOUOTDCESI-UHFFFAOYSA-N
Properties
Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.035g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.158g/mol
Monoisotopic Mass:
229.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties