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1443311-33-8 | 5-Fluoro-3-n-hexyloxythiophenol
CAS No: 1443311-33-8 Catalog No: AG01FEWT MDL No:
Product Description
Catalog Number:
AG01FEWT
Chemical Name:
5-Fluoro-3-n-hexyloxythiophenol
CAS Number:
1443311-33-8
Molecular Formula:
C12H17FOS
Molecular Weight:
228.3262
IUPAC Name:
3-fluoro-5-hexoxybenzenethiol
InChI:
InChI=1S/C12H17FOS/c1-2-3-4-5-6-14-11-7-10(13)8-12(15)9-11/h7-9,15H,2-6H2,1H3
InChI Key:
AKQFXSCFOGKCFU-UHFFFAOYSA-N
SMILES:
CCCCCCOc1cc(F)cc(c1)S
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:
1
Isotope Atom Count:
0
Molecular Weight:
228.325g/mol
Monoisotopic Mass:
228.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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