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1443304-16-2

1443304-16-2 | 5-(3,4,5-Trifluoro-phenoxy)pentanenitrile

CAS No: 1443304-16-2 Catalog No: AG01FBMR MDL No:

Product Description

Catalog Number:
AG01FBMR
Chemical Name:
5-(3,4,5-Trifluoro-phenoxy)pentanenitrile
CAS Number:
1443304-16-2
Molecular Formula:
C11H10F3NO
Molecular Weight:
229.1984
IUPAC Name:
5-(3,4,5-trifluorophenoxy)pentanenitrile
InChI:
InChI=1S/C11H10F3NO/c12-9-6-8(7-10(13)11(9)14)16-5-3-1-2-4-15/h6-7H,1-3,5H2
InChI Key:
NKTVNPATODNZHS-UHFFFAOYSA-N
SMILES:
N#CCCCCOc1cc(F)c(c(c1)F)F

Properties

Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.071g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.202g/mol
Monoisotopic Mass:
229.071g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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