Home Nitriles 3-[4-fluoro-3-(trifluoromethyl)phenyl]-3-oxopropanenitrile

3-[4-fluoro-3-(trifluoromethyl)phenyl]-3-oxopropanenitrile

CAS No.:
677713-06-3
Catalog Number:
AG01A4FB
Molecular Formula:
C10H5F4NO
Molecular Weight:
231.1464
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Product Description
Catalog Number:
AG01A4FB
Chemical Name:
3-[4-fluoro-3-(trifluoromethyl)phenyl]-3-oxopropanenitrile
CAS Number:
677713-06-3
Molecular Formula:
C10H5F4NO
Molecular Weight:
231.1464
MDL Number:
MFCD16083874
IUPAC Name:
3-[4-fluoro-3-(trifluoromethyl)phenyl]-3-oxopropanenitrile
InChI:
InChI=1S/C10H5F4NO/c11-8-2-1-6(9(16)3-4-15)5-7(8)10(12,13)14/h1-2,5H,3H2
InChI Key:
YYMKPIUYLMWMQL-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccc(c(c1)C(F)(F)F)F
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.031g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.15g/mol
Monoisotopic Mass:
231.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties