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1443333-30-9 | 5-Fluoro-3-iso-pentoxyphenyl methyl sulfide
CAS No: 1443333-30-9 Catalog No: AG01FB0B MDL No:
Product Description
Catalog Number:
AG01FB0B
Chemical Name:
5-Fluoro-3-iso-pentoxyphenyl methyl sulfide
CAS Number:
1443333-30-9
Molecular Formula:
C12H17FOS
Molecular Weight:
228.3262
IUPAC Name:
1-fluoro-3-(3-methylbutoxy)-5-methylsulfanylbenzene
InChI:
InChI=1S/C12H17FOS/c1-9(2)4-5-14-11-6-10(13)7-12(8-11)15-3/h6-9H,4-5H2,1-3H3
InChI Key:
APQHDTBWTNXMHF-UHFFFAOYSA-N
SMILES:
CSc1cc(OCCC(C)C)cc(c1)F
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.098g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.325g/mol
Monoisotopic Mass:
228.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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