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Home > Fluorides > 1443354-39-9
1443354-39-9 | 6-(2-Fluoro-5-methyl-phenoxy)hexanenitrile
CAS No: 1443354-39-9 Catalog No: AG01FBD0 MDL No:
Product Description
Catalog Number:
AG01FBD0
Chemical Name:
6-(2-Fluoro-5-methyl-phenoxy)hexanenitrile
CAS Number:
1443354-39-9
Molecular Formula:
C13H16FNO
Molecular Weight:
221.2706
IUPAC Name:
6-(2-fluoro-5-methylphenoxy)hexanenitrile
InChI:
InChI=1S/C13H16FNO/c1-11-6-7-12(14)13(10-11)16-9-5-3-2-4-8-15/h6-7,10H,2-5,9H2,1H3
InChI Key:
KYDBPYAQNYMDRD-UHFFFAOYSA-N
SMILES:
N#CCCCCCOc1cc(C)ccc1F
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.275g/mol
Monoisotopic Mass:
221.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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