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1379358-81-2 | 3-n-Butoxy-5-fluorophenyl methyl sulfide
CAS No: 1379358-81-2 Catalog No: AG01FC01 MDL No:
Product Description
Catalog Number:
AG01FC01
Chemical Name:
3-n-Butoxy-5-fluorophenyl methyl sulfide
CAS Number:
1379358-81-2
Molecular Formula:
C11H15FOS
Molecular Weight:
214.2996
IUPAC Name:
1-butoxy-3-fluoro-5-methylsulfanylbenzene
InChI:
InChI=1S/C11H15FOS/c1-3-4-5-13-10-6-9(12)7-11(8-10)14-2/h6-8H,3-5H2,1-2H3
InChI Key:
CUKHXWJRRQROHK-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(F)cc(c1)SC
Properties
Complexity:
154
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:
5
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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