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1378873-79-0 | 5-Fluoro-3-n-pentoxythiophenol
CAS No: 1378873-79-0 Catalog No: AG01FF1R MDL No:
Product Description
Catalog Number:
AG01FF1R
Chemical Name:
5-Fluoro-3-n-pentoxythiophenol
CAS Number:
1378873-79-0
Molecular Formula:
C11H15FOS
Molecular Weight:
214.2996
IUPAC Name:
3-fluoro-5-pentoxybenzenethiol
InChI:
InChI=1S/C11H15FOS/c1-2-3-4-5-13-10-6-9(12)7-11(14)8-10/h6-8,14H,2-5H2,1H3
InChI Key:
OSULCYICIUAUOB-UHFFFAOYSA-N
SMILES:
CCCCCOc1cc(F)cc(c1)S
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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