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Home > Fluorides > 1379311-96-2
1379311-96-2 | 3-iso-Butoxy-5-fluorophenyl methyl sulfide
CAS No: 1379311-96-2 Catalog No: AG01FB9N MDL No:
Product Description
Catalog Number:
AG01FB9N
Chemical Name:
3-iso-Butoxy-5-fluorophenyl methyl sulfide
CAS Number:
1379311-96-2
Molecular Formula:
C11H15FOS
Molecular Weight:
214.2996
IUPAC Name:
1-fluoro-3-(2-methylpropoxy)-5-methylsulfanylbenzene
InChI:
InChI=1S/C11H15FOS/c1-8(2)7-13-10-4-9(12)5-11(6-10)14-3/h4-6,8H,7H2,1-3H3
InChI Key:
YHGCHIQHYLBFLR-UHFFFAOYSA-N
SMILES:
CSc1cc(OCC(C)C)cc(c1)F
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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