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Home > Fluorides > 1443313-67-4
1443313-67-4 | 4-Fluoro-3-n-hexyloxyphenyl methyl sulfide
CAS No: 1443313-67-4 Catalog No: AG01FBBD MDL No:
Product Description
Catalog Number:
AG01FBBD
Chemical Name:
4-Fluoro-3-n-hexyloxyphenyl methyl sulfide
CAS Number:
1443313-67-4
Molecular Formula:
C13H19FOS
Molecular Weight:
242.3528
IUPAC Name:
1-fluoro-2-hexoxy-4-methylsulfanylbenzene
InChI:
InChI=1S/C13H19FOS/c1-3-4-5-6-9-15-13-10-11(16-2)7-8-12(13)14/h7-8,10H,3-6,9H2,1-2H3
InChI Key:
FZHKHXGBLQDHCL-UHFFFAOYSA-N
SMILES:
CCCCCCOc1cc(SC)ccc1F
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.114g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.352g/mol
Monoisotopic Mass:
242.114g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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