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Home > Fluorides > 1379316-12-7
1379316-12-7 | 5-Fluoro-2-n-pentoxythiophenol
CAS No: 1379316-12-7 Catalog No: AG01FF21 MDL No:
Product Description
Catalog Number:
AG01FF21
Chemical Name:
5-Fluoro-2-n-pentoxythiophenol
CAS Number:
1379316-12-7
Molecular Formula:
C11H15FOS
Molecular Weight:
214.2996
IUPAC Name:
5-fluoro-2-pentoxybenzenethiol
InChI:
InChI=1S/C11H15FOS/c1-2-3-4-7-13-10-6-5-9(12)8-11(10)14/h5-6,8,14H,2-4,7H2,1H3
InChI Key:
CUEDURXKHSIUNF-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1S)F
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.083g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.298g/mol
Monoisotopic Mass:
214.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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