Home Nitriles 3-Oxo-3-(3-(trifluoromethyl)phenyl)propanenitrile

3-Oxo-3-(3-(trifluoromethyl)phenyl)propanenitrile

CAS No.:
27328-86-5
Catalog Number:
AG003H3Z
Molecular Formula:
C10H6F3NO
Molecular Weight:
213.1559
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Product Description
Catalog Number:
AG003H3Z
Chemical Name:
3-Oxo-3-(3-(trifluoromethyl)phenyl)propanenitrile
CAS Number:
27328-86-5
Molecular Formula:
C10H6F3NO
Molecular Weight:
213.1559
MDL Number:
MFCD00052315
IUPAC Name:
3-oxo-3-[3-(trifluoromethyl)phenyl]propanenitrile
InChI:
InChI=1S/C10H6F3NO/c11-10(12,13)8-3-1-2-7(6-8)9(15)4-5-14/h1-3,6H,4H2
InChI Key:
GEPORLBYZLQDOB-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1cccc(c1)C(F)(F)F
Properties
Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.04g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.159g/mol
Monoisotopic Mass:
213.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties