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Home > Fluorides > 1379316-21-8
1379316-21-8 | 2-iso-Butoxy-5-fluorophenyl methyl sulfide
CAS No: 1379316-21-8 Catalog No: AG01FB9O MDL No:
Product Description
Catalog Number:
AG01FB9O
Chemical Name:
2-iso-Butoxy-5-fluorophenyl methyl sulfide
CAS Number:
1379316-21-8
Molecular Formula:
C11H15FOS
Molecular Weight:
214.2996
IUPAC Name:
4-fluoro-1-(2-methylpropoxy)-2-methylsulfanylbenzene
InChI:
InChI=1S/C11H15FOS/c1-8(2)7-13-10-5-4-9(12)6-11(10)14-3/h4-6,8H,7H2,1-3H3
InChI Key:
ADCGDQGGNNHDJV-UHFFFAOYSA-N
SMILES:
CSc1cc(F)ccc1OCC(C)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.083g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.298g/mol
Monoisotopic Mass:
214.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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