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Home > Fluorides > 1443348-10-4
1443348-10-4 | 4-Fluoro-2-[(n-pentyloxy)methyl]thiophenol
CAS No: 1443348-10-4 Catalog No: AG01FBCK MDL No:
Product Description
Catalog Number:
AG01FBCK
Chemical Name:
4-Fluoro-2-[(n-pentyloxy)methyl]thiophenol
CAS Number:
1443348-10-4
Molecular Formula:
C12H17FOS
Molecular Weight:
228.3262
IUPAC Name:
4-fluoro-2-(pentoxymethyl)benzenethiol
InChI:
InChI=1S/C12H17FOS/c1-2-3-4-7-14-9-10-8-11(13)5-6-12(10)15/h5-6,8,15H,2-4,7,9H2,1H3
InChI Key:
DYGLXWZOZSHUAJ-UHFFFAOYSA-N
SMILES:
CCCCCOCc1cc(F)ccc1S
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:
3.6
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