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Home > Fluorides > 1379365-16-8
1379365-16-8 | 5-Fluoro-3-iso-pentoxythiophenol
CAS No: 1379365-16-8 Catalog No: AG01FEOV MDL No:
Product Description
Catalog Number:
AG01FEOV
Chemical Name:
5-Fluoro-3-iso-pentoxythiophenol
CAS Number:
1379365-16-8
Molecular Formula:
C11H15FOS
Molecular Weight:
214.2996
IUPAC Name:
3-fluoro-5-(3-methylbutoxy)benzenethiol
InChI:
InChI=1S/C11H15FOS/c1-8(2)3-4-13-10-5-9(12)6-11(14)7-10/h5-8,14H,3-4H2,1-2H3
InChI Key:
QJEDYGBQVSHRDK-UHFFFAOYSA-N
SMILES:
CC(CCOc1cc(F)cc(c1)S)C
Properties
Complexity:
163
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:
4
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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