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Home > Fluorides > 117411-47-9
117411-47-9 | 3-Fluoro-6-methylphenyl methyl sulfide
CAS No: 117411-47-9 Catalog No: AG01FCJ7 MDL No:
Product Description
Catalog Number:
AG01FCJ7
Chemical Name:
3-Fluoro-6-methylphenyl methyl sulfide
CAS Number:
117411-47-9
Molecular Formula:
C8H9FS
Molecular Weight:
156.2205
IUPAC Name:
4-fluoro-1-methyl-2-methylsulfanylbenzene
InChI:
InChI=1S/C8H9FS/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,1-2H3
InChI Key:
GACNWYICGPMRTO-UHFFFAOYSA-N
SMILES:
CSc1cc(F)ccc1C
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.041g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.218g/mol
Monoisotopic Mass:
156.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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