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1443329-79-0 | 4,5-Difluoro-3-n-hexyloxyphenyl methyl sulfide
CAS No: 1443329-79-0 Catalog No: AG01FA4C MDL No:
Product Description
Catalog Number:
AG01FA4C
Chemical Name:
4,5-Difluoro-3-n-hexyloxyphenyl methyl sulfide
CAS Number:
1443329-79-0
Molecular Formula:
C13H18F2OS
Molecular Weight:
260.3432
IUPAC Name:
1,2-difluoro-3-hexoxy-5-methylsulfanylbenzene
InChI:
InChI=1S/C13H18F2OS/c1-3-4-5-6-7-16-12-9-10(17-2)8-11(14)13(12)15/h8-9H,3-7H2,1-2H3
InChI Key:
GQQKYKJHQRXLKU-UHFFFAOYSA-N
SMILES:
CCCCCCOc1cc(SC)cc(c1F)F
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.343g/mol
Monoisotopic Mass:
260.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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