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Home > Fluorides > 252555-36-5
252555-36-5 | 4-Fluoro-3,5-dimethylphenyl methyl sulfide
CAS No: 252555-36-5 Catalog No: AG01FBE6 MDL No:
Product Description
Catalog Number:
AG01FBE6
Chemical Name:
4-Fluoro-3,5-dimethylphenyl methyl sulfide
CAS Number:
252555-36-5
Molecular Formula:
C9H11FS
Molecular Weight:
170.2470
IUPAC Name:
2-fluoro-1,3-dimethyl-5-methylsulfanylbenzene
InChI:
InChI=1S/C9H11FS/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5H,1-3H3
InChI Key:
IVDAILVWVBSNOJ-UHFFFAOYSA-N
SMILES:
CSc1cc(C)c(c(c1)C)F
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.057g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.245g/mol
Monoisotopic Mass:
170.057g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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