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1443312-06-8 | 5-Fluoro-3-n-pentoxyphenyl methyl sulfide
CAS No: 1443312-06-8 Catalog No: AG01FBND MDL No:
Product Description
Catalog Number:
AG01FBND
Chemical Name:
5-Fluoro-3-n-pentoxyphenyl methyl sulfide
CAS Number:
1443312-06-8
Molecular Formula:
C12H17FOS
Molecular Weight:
228.3262
IUPAC Name:
1-fluoro-3-methylsulfanyl-5-pentoxybenzene
InChI:
InChI=1S/C12H17FOS/c1-3-4-5-6-14-11-7-10(13)8-12(9-11)15-2/h7-9H,3-6H2,1-2H3
InChI Key:
LPFDZSGCCXCAPS-UHFFFAOYSA-N
SMILES:
CCCCCOc1cc(F)cc(c1)SC
Properties
Complexity:
166
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:
6
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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