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Home > Fluorides > 1314955-87-7
1314955-87-7 | 3-Fluoro-6-methoxyphenyl methyl sulfide
CAS No: 1314955-87-7 Catalog No: AG01FCBA MDL No:
Product Description
Catalog Number:
AG01FCBA
Chemical Name:
3-Fluoro-6-methoxyphenyl methyl sulfide
CAS Number:
1314955-87-7
Molecular Formula:
C8H9FOS
Molecular Weight:
172.2199
IUPAC Name:
4-fluoro-1-methoxy-2-methylsulfanylbenzene
InChI:
InChI=1S/C8H9FOS/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3
InChI Key:
SUROGJPHBIMVKA-UHFFFAOYSA-N
SMILES:
CSc1cc(F)ccc1OC
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.036g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.217g/mol
Monoisotopic Mass:
172.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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