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1379238-00-2 | 3-Ethoxy-5-fluorophenyl methyl sulfide
CAS No: 1379238-00-2 Catalog No: AG01FCOJ MDL No:
Product Description
Catalog Number:
AG01FCOJ
Chemical Name:
3-Ethoxy-5-fluorophenyl methyl sulfide
CAS Number:
1379238-00-2
Molecular Formula:
C9H11FOS
Molecular Weight:
186.2464
IUPAC Name:
1-ethoxy-3-fluoro-5-methylsulfanylbenzene
InChI:
InChI=1S/C9H11FOS/c1-3-11-8-4-7(10)5-9(6-8)12-2/h4-6H,3H2,1-2H3
InChI Key:
VPFLLBYZRIAQDT-UHFFFAOYSA-N
SMILES:
CCOc1cc(SC)cc(c1)F
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.244g/mol
Monoisotopic Mass:
186.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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