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Home > Fluorides > 1443345-86-5
1443345-86-5 | 4-Fluoro-2-[(n-hexyloxy)methyl]thiophenol
CAS No: 1443345-86-5 Catalog No: AG01FBOK MDL No:
Product Description
Catalog Number:
AG01FBOK
Chemical Name:
4-Fluoro-2-[(n-hexyloxy)methyl]thiophenol
CAS Number:
1443345-86-5
Molecular Formula:
C13H19FOS
Molecular Weight:
242.3528
IUPAC Name:
4-fluoro-2-(hexoxymethyl)benzenethiol
InChI:
InChI=1S/C13H19FOS/c1-2-3-4-5-8-15-10-11-9-12(14)6-7-13(11)16/h6-7,9,16H,2-5,8,10H2,1H3
InChI Key:
AFMIAIWGLUQKDM-UHFFFAOYSA-N
SMILES:
CCCCCCOCc1cc(F)ccc1S
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.114g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.352g/mol
Monoisotopic Mass:
242.114g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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