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Home > Fluorides > 1443354-01-5
1443354-01-5 | 6-(2,3,4-Trifluoro-phenoxy)hexanenitrile
CAS No: 1443354-01-5 Catalog No: AG01FC3D MDL No:
Product Description
Catalog Number:
AG01FC3D
Chemical Name:
6-(2,3,4-Trifluoro-phenoxy)hexanenitrile
CAS Number:
1443354-01-5
Molecular Formula:
C12H12F3NO
Molecular Weight:
243.2250
IUPAC Name:
6-(2,3,4-trifluorophenoxy)hexanenitrile
InChI:
InChI=1S/C12H12F3NO/c13-9-5-6-10(12(15)11(9)14)17-8-4-2-1-3-7-16/h5-6H,1-4,8H2
InChI Key:
ZMILBIBKMCVIAI-UHFFFAOYSA-N
SMILES:
Fc1c(OCCCCCC#N)ccc(c1F)F
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.229g/mol
Monoisotopic Mass:
243.087g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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